学会及び社会における活動等
１９６６．４

日本物理学会会員（現在に至る）

１９８８．４

米国物理学会会員（２００６．３まで）

１９８８．４ヨーロッパ物理学会会員（２００６．３まで）

１９８８．４「第７回液体とアモルファスに関する国際会議」組織委員（1989 年 9 月まで）

１９８８．４「第 26 回山田国際会議（強結合プラズマ物理）」組織委員（1989 年 9 月まで）

１９８９．４「第 13 回谷口国際シンポジウム（分子動力学シミュレーション）」組織委員

１９９０．４（1990 年 11 月まで）
科学技術庁「計算科学に関する調査研究」推進委員（1992 年 3 月まで）

１９９０．４「第 1 回東和大学国際会議（凝縮系におけるスローダイナミックス）」組織委員（1991 年 11 月まで）

１９９１．４「第 6 回分子シミュレーション討論会」実行委員長（1992 年 11 月まで）

１９９４．４「第 1 回東和大学交際会議（理論、実験、計算機シミュレーション）」組織委員（1995 年 11 月まで）

１９９４．４

東京大学物性研究所スーパーコンピュータ共同利用運営委員会委員（1996 年 3 月まで）

１９９５．４

日本原子力研究所原子力研究委員会委員、同専門部会長（1995 年〜2000 年、2000 年〜2006 年）

１９９６．４

日本計算工学会会員（2006 年 3 月まで）

１９９６．４

東京大学物性研究所スーパーコンピュータ共同利用運営委員会委員（2002 年 3 月まで）

１９９６．11

湯川記念国際シンポジウム主催（京都市）

１９９７．４

東京大学物性研究所運営委員（2001 年 3 月まで）

１９９７．11

日本分子シミュレーション研究会会長（2004 年 11 月まで）

１９９９．４

日本化学技術戦略推進機構計算科学部会会員（2001 年 3 月まで）

１９９９．11

計算物理学国際会議主催（金沢市）

２０００．４

東京大学物性研究所外部評価委員（2001 年 3 月まで）

２０００．４

金沢こども科学財団評議員（2002 年 3 月まで）

２００２．４

岡崎研究機構分子科学研究所外部評価委員（2003 年 3 月まで）

２００３．４

文部科学省超高速コンピュータ網形成プロジェクト（NAREGI）
ナノグリッド自己評価委員（現在に至る）

２００４．１分子シミュレーション国際会議主催（つくば市）

２００４．４石川県教育委員会・スーパーサイエンスハイスクール運営委員会委員長（2006 年 3 月
まで）

２００４．４

独立行政法人産業技術総合研究所研究ユニット評価委員（2006 年 3 月まで）

２００４．４

岡崎研究機構分子科学研究所外部評価委員（現在に至る）

２００４．６石川県教育委員会小学校科学実験サポータ（2006 年 3 月まで）

２００４．９

虎姫高等学校出張講義

２００４．11

七尾高等学校出張講義

２００５．３ （独）海洋研究開発機構地球シミュレータ研究センター外部評価委員（2006.3 まで）
２００５．７

NPO いしかわサイエンス 21 開設，代表に就任（2006.6 まで）

２００５．10

平成１７年度金沢大学公開講座「親・子・教師向けサイエンストーク」主催

２００５．10

全国高等学校理数科大会総合講演（招待講演）

２００６． 1 （理化学研究所）次世代スーパーコンピュータ・開発戦略委員会・
アプリケーション検討部会委員（現在に到る）
２００６．３

独立行政法人日本原子力研究開発機構・原子力計算科学研究評価専門部会委員（現在に到る）

２００６． 4 （文部科学省）科学技術・学術審議会専門委員（研究計画・評価分科会）
次世代スーパーコンピュータ共用ワーキンググループ委員（2007 年 3 月まで）
２００６． 6

NPO 法人いしかわサイエンス 21 理事長に就任（現在に至る）

２００６． 4金沢大学大学院自然科学研究科および理学部非常勤講師（2007 年 3 月まで）

２００６．10

平成１８年度金沢大学公開講座「サイエンストーク」担当講師

２００７． 4金沢大学大学院自然科学研究科および理学部非常勤講師（現在に至る）

２００７． 9

文部科学省（石川県）主催小学校理科支援事業特別講師（現在に至る）

２００７．10

日本物理学会誌アルダー転移５０周年特集号編集（企画委員長）

２００７．11

平成１９年度金沢大学公開講座「サイエンストーク」担当講師

２００７．11

アルダー転移５０周年記念国際シンポジウム開催（金沢、組織委員長）

２００７．12

第一回分子シミュレーションスクール開校（分子科学研究所、校長）

２００８. 4

財団法人豊田理化学研究所フェロー（現在に至る）

２００８. 4

県立兵庫大学（仮）計算科学研究科設置準備委員会委員（現在に至る）

２００８. 12

第二回分子シミュレーションスクール開校（分子科学研究所、校長）

２００９. 4

県立兵庫大学（仮）計算科学研究科設置準備委員会専門部会委員（現在に至る）

２００９. 4

日本物理学会代議委員（現在に至る）

２００９. 12

第三回分子シミュレーションスクール開校（分子科学研究所、校長）（予定）

科学研究費と外部資金受入れ情報
科学研究費補助金（１）基盤研究Ｃ、平成15 年度〜平成16 年度、「高分子動的誘電特性の分子動力学シミュレーション」、研究代表者、3,600 千円、研究成果（概要）：(i) PPO [ Poly (2, 6 - dimethyl - 1, 4 - phenylene oxide ) ] の粗視化モデルを考察し、分子動力学シミュレー
ションにより、PPO の動的誘電特性, 複素誘電率、コール・コールプロットなどから PPO 高分子内のフェニ
レン基と酸素を結ぶ結合の偏角振動モードと誘電特性を明らかにした。(ii) ポリマーの基本的な性質（ガラス転移温度、熱膨張係数、比熱など）の支配要因（ミクロパラメーター）を自由に制御する支配要因を探すことを目的に、ナノコンポジット系の分子動力学シミュレーションを行った。ポリマー（PE）にナノサイズの粒子を加えることによる物性（特にガラス転移温度）の変化を考察した。
科学研究費補助金以外（１）NEDO, 平成８年〜平成 10 年, 「高分子・分子集合体の自由エネルギーの計算法と超高速専用計算
デバイスの開発」、研究代表者、89,000 千円、研究成果（概要）：
本研究においてクーロン相互作用を含む高分子系の自由エネルギー計算を効率かつ精度良く計算する
計算アルゴリズムおよび計算システム（専用並列計算システム）を開発した。
（２）JST, 平成 10 年〜平成 13 年, 「高分子会合（秩序）・解離（無秩序）の分子論的研究」、研究代表者、
152,200 千円、研究成果（概要）：
本プロジェクト研究は、会合・解離の分子理論的考察を始め、分子シミュレーションによる会合模擬実験を通して分子レベルの会合に関する新しい知見（例えば疎水的会合などの分子論）や種々の高分子系（蛋白質など）の構造変化（会合・解離）の特質を相互作用の型およびその大きさにより解明を試みたものであり、これにより分子設計への道標を示唆するものである。
（３）日本原子力研究所、平成 10 年〜平成 12 年、「分子シミュレーションにおける並列計算技法の開発と応用」、研究代表者、24,840 千円、研究成果（概要）：
本研究により、古典粒子系の分子動力学シミュレーション・コードの並列化および電子系タイトバインディ
ングモデルの並列化計算コードの開発研究ななどを行なった。また、これらの分子動力学シミュレーショ
ン・コードを興味ある物理・化学系に適用を試みた。
（４）通信・放送機構、平成 12 年〜平成 14 年、「ギガビットネットワークを利用した広域仮想シミュレーショ
ン工場の提案」、研究代表者、60,000 千円、研究成果（概要）：
仮想シミュレーションラボの基盤構築のためネットワーク接続の基礎実験およびヒューマンインターフェイス・立体可視化表現法の基礎技術開発を行なった。分担者として必要な研究情報収集、シミュレーショ
ン・コードのモジュール化、および仮想空間における立体可視化の開発に参画した。
（５）民間企業から奨学寄付金 〜平成１７年度 研究代表者、Ca 40,000 千円（６）所属研究機関（金沢大学）より措置された校費（教育研究費）、研究代表者、Ca. 3,000〜5,000 千円/年

以上

1

I. Original（）Soliton-Like Properties of Heat Pulses, T. SCHNEIDER, E. Stoll and Yasuaki HIWATARI, Phys. Rev.
Lett., 39, 1382 (1977).
()Molecular Dynamics Investigation of Solid-Liquid Coexistence, Yasuaki HIWATARI, E. Stoll and T.
Schneider, J. Chem. Phys., 68, 3401 (1978).
（）Free Volumes and Liquidlike Clusters in Soft Core Dense Liquids and Glasses, Y. HIWATARI, J. Chem.
Phys., 76, 5502(1982).
（）Molecular Dynamics Simulation of the Glass Transition in Binary Mixtures of Soft Spheres, Bernard
BERNU, Yasuaki HIWATARI and Jean-Pierre HANSEN, J. Phys. (France), Supplement No.12, 46,
323-327(1985).
()A Molecular Dynamics Study of the Glass Transition in Binary Mixtures of Soft Spheres, Bernard BERNU,
Yasuaki HIWATARI and Jean-Pierre HANSEN, J. Phys. C: Solid State Physics, 18, L371-376 (1985).
（）Study of Dynamical Properties of Dense Soft Sphere Fluids and Glasses by Molecular Dynamics, Yasuaki
HIWATARI, Bernard BERNU and Jean-Pierre HANSEN, Condensed Matter Theories, 2, 19-26(1987).
()Soft-Sphere Model for the Glass Transition in Binary Alloys:-Pair Structure and Self-Diffusion, Bernard
BERNU, Jean-Pierre HANSEN, Yasuaki HIWATARI and Gorge PASTORE, Phys. Rev., A36,
4891-4903(1987).
()Dynamical Slowing Down and Nonexponential Decay of the Density Correlation Function in Soft-Sphere
Supercooled Liquids, Shaw KAMBAYASHI and Yasuaki HIWATARI, J. Phys. Soc. Jpn., 56,
2788-2794(1987).
()Molecular Dynamics Study of Binary Soft-Sphere Mixtures -Jump Motions of Atoms in the Glassy State,
Hiroh MIYAGAWA, Yasuaki HIWATARI, Bernard BERNU and Jean Pierre HANSEN, J. Chem. Phys., 88,
3879-3886(1988).
()van der Waals Theory on the Supercooled Liquids of Inverse Power Potentials, Shaw KAMBAYASHI and
Yasuaki HIWATARI, Phys. Rev., A37, 852-859(1988).

2（ ） Soft-Sphere Model for the Glass Transition in Binary Alloys Ⅱ , Relaxation of the Incoherent
Density-Density Correlation Functions, Gorge PASTORE, Bernard BERNU, Jean-Pierre HANSEN and
Yasuaki HIWATARI, Phys. Rev., A38, 454-462 (1988).
（）Improved Integral Equation for Highly Supercooled Liquids, Numerical Tests for Soft-Sphere Fluids,
Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A41, 1990-1996 (1990).
()Theory of Supercooled Liquids and Glasses for Binary Soft-Sphere Mixtures via Modified
Hypernetted-Chain Integral Equations, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A42,
2176-2183 (1990).
()A Modified Hypernetted-Chain Integral Equation for the Supercooled Liquid of Inverse Power Potentials,
Shaw KAMBAYASHI and Yasuaki HIWATARI, J. Non-Cryst. Solids, 117/118, 92-95 (1990).
()Stochastic Model for the Glass Transition of Simple Classical Liquids, Takashi ODAGAKI and Yasuaki
HIWATARI, Phys. Rev., A 41, 929-937(1990).
()Molecular-Dynamics Study of the Glass Transition in a Binary Soft-Sphere Model, Hiroh MIYAGAWA
and Yasuaki HIWATARI, Phys. Rev., A44, 8278-8288 (1991).
()Gaussian-to-non-Gaussian Transition in Supercooled Fluids, Takashi ODAGAKI and Yasuaki HIWATARI,
Phys. Rev., A43, 1103-1106 (1991).
()Instability and Phase Separation of a Binary Mixture: The Role of Short-Range Repulsion and Core-Size
Ratio, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A46, 1014-1021 (1992).
()Apparent Subdiffusive Properties of a Supercooled Fluid, Takashi ODAGAKI and Yasuaki HIWATARI,
Phys. Rev., A46, 1250-1252 (1992).
()Study of the αand β Relaxations in a Supercooled Fluid via Molecular-Dynamics Simulations, Yasuaki
HIWATARI, Jun MATSUI, Kentaro UEHARA, Tadashi MURANAKA, Hiroh MIYAGAWA, Masako
TAKASU and Takashi ODAGAKI, Physica A, 204, 306-327 (1994).
()Molecular-Dynamics Study of Dynamical Properties of Dense Soft-Sphere Fluids: The Role ofShort-Range Repulsion of the Intermolecular Potential, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys.
Rev., E49, 1251-1259 (1994).

3()Study of the Slow Dynamics in a Highly Supercooled Fluid: Super-Long-Time Molecular Dynamics
Calculation of the Generalized Susceptibility, Jun MATSUI, Takashi ODAGAKI and Yasuaki HIWATARI,
Phys. Rev. Letters, 73, 2452-2455 (1994).
()Slow Dynamics in Super- cooled Liquids, Takashi ODAGAKI, Jun MATSUI and Yasuaki HIWATARI, Phys.
Rev., E49, 3150-3158 (1994).
()Numerical Calculation of the Bridge Function for Soft-Sphere Supercooled Fluids via Molecular Dynamics
Simulations, Shaw Kambayashi and Yasuaki Hiwatari, Molecular Simulation, Vol. 12(3-6), pp. 421-430(1994)()βRelaxation in a Highly Supercooled State via Molecular-Dynamics Simulation, Tadashi MURANAKA andYasuaki HIWATARI, Phys. Rev., E51, R2735-R2738（1995）.
()Classical Molecular Dynamics for the Formation Process of a Fullerene Molecule, S. Makino, T. Oda and
Y. Hiwatari, J. Phys. Chem. Solids, 58, 1845-1851 (1997).
()Coupling between Jump Motions and Correlated Motions, T. Muranaka and Y. Hiwatari, Prog. Theor.
Phys. Suppl., 126 403-406 (1997).
()Structural Heterogeneity in Supercooled Liquids and Glasses, Y. Hiwatari and T. Muranaka, J. Non-Cryst.
Solids., 235-237, 19-26 (1998).
()Spatial Heterogeneity in Supercooled Liquids and Glasses, T. Muranaka and Y. Hiwatari, J. Phys. Soc.
Jpn., 67, 1982-1987 (1998).
()A Molecular Dynamics Simulation of the Carbon Cluster Formation on a Parallel Computer, R. Hayashi, K.
Tanaka, K. Nakano, S. Horiguchi and Y. Hiwatari, Progr. Theor. Phys. Suppl., 138, 262-263 (2000).
()Monte Carlo Simulation of Thin Film Growth with Lattice Defects, Y. Kaneko, Y. Hiwatari, K. Ohara andT. Murakami, J. Phys. Soc. Jpn., 69,3607-3613 (2000).
()Finite-size dependence of the bridge function extracted from molecular dynamics simulations, A.
Baumketner and Y. Hiwatari, Phys. Rev., E63, 61201-1-4 (2001).

4()A Multicanonical Molecular Dynamics Study on a Simple Bead-Spring Model for Protein Folding, M.
Isobe ,H. Shimizu, and Y. Hiwatari, J. Phys. Soc. Jpn, 70, 1233-1236 (2001).
()A Comparative Study of the Diffusion Processes in Liquid Binary Alloys with a Tendency to Aggregationand Segregation, A. Baumketner, Y. Chushak and Y. Hiwatari, Defect and Diffusion Forum, 188-190,
143-152 (2001).
()Helix transition in di-block polyampholyte, A. Baumketner, H. Shimizu, M. Isobe and Y. Hiwatari, J.
Phys. : Cond. Matt., 13. 10279-10291 (2001).
()Instability of hcp structures in modified embedded atom method, K. Mae, T. Nobata, H. Ishida, S.
Motoyama and Y. Hiwatari, Modell. Simul. Mater. Sci. Eng., 10, 205-214 (2002).
()A study of water-water interactions in hydrophobic association by a molecular dynamics simulation with
an optimized umbrella sampling method, N. Tsunekawa, H. Miyagawa, K. Kitamura and Y. Hiwatari, J. Phys.
Chem., 116, 6725-6730 (2002).
()Structural organization of a chain molecule with specific charge distribution: A molecular dynamics study,
A. Baumketner, H. Shimizu, and Y. Hiwatari, Mol. Sim., 28, 359-375 (2002).
()Running multicanonical simulations on deformed energy surface: Application to a model protein, A.
Baumketner and Y. Hiwatari, J. Phys. Soc. Jpn., 71, 1001-1002 (2002).
()Diffusive dynamics of protein folding studied by molecular dynamics simulations of an off-lattice model, A.
Baumketner and Y. Hiwatari, Phys. Rev. E66, 011905-1-6 (2002).
()Influence of the hydrodynamic interaction on kinetics and thermodynamics of minimal protein models, A.
Baumketner and Y. Hiwatari, J.P.S.J, 71, 3069-3079 (2002).
()The solid - by - solid model for crystal growth and electroplating: Kinetic Monte Carlo simulation, Yutaka
Kaneko, Yasuaki Hiwatari, Recent Res. Devel. Phys. Chem. Solids, Kerala, India, 1 (2002).
()Molecular Dynamics simulation of Martensitic Transformations in NiAl Alloy Using the Modified Embedded
Atom Method, Hiroaki ISHIDA, Satoshi MOTOYAMA, Kazuki MAE, and Yasuaki HIWATARI, J. Phys. Soc.
Jpn., 72, 2539-2545 (2003).

5()Glass transition in an off-lattice protein model studied by molecular dynamics simulations, A. Baumketner,
J.-E. Shea and Y. Hiwatari, Phys. Rev. E, 67, 011912 (2003).
()A combined molecular dynamics simulation, experimental and coupling model study of the ion dynamics inglassy ionic conductors, K. L. Ngai, J. Habasaki, Y. Hiwatari, and C. Leon, J, Phys. C: Condensed Matter,
15, S1607-S1632 (2003).
()Fast and slow dynamics in single and mixed alkali silicate glasses, J. Habasaki and Y. Hiwatari, J.
Non-Cryst. Solids, 320, 281-290 (2003).
()Molecular Dynamics Study of Protein Folding: Protential and Mechanisms, A. Baumketner and Y. Hiwatari,
MODELING OF COMPLEX SYSTEMS (American Institute of Physics, New York, (2003), pp195-204.
()Molecular Dynamics Simulations of “The Cooperativity Blockage Effect” in Alkali Metasilicate, J. Habasaki,
K.L. Ngai and Y. Hiwatari, AIP 708, pp.775-777, (2003),()"Cooperativity blockage" in the mixed alkali effect as revealed by molecular dynamics simulations of alkali
metasilicate glass, J.Habasaki, Kia L. Ngai, and Y.Hiwatari, J. Chem. Phys., 121, 925-934 (2004).
()Molecular Dynamics Study of the Mechanism of the Ion Transport in Lithium silicate Glasses-

Characteristic of the Potential Energy Surface and the Structures-, J. Habasaki, Y. Hiwatari, Phys. Rev,
B69, 144207 (1-8) (2004).
()Dynamics of caged ions in glassy ionic conductors, J. Habasaki, K.L. Ngai, and Y. Hiwatari, J. Chem.
Phys. 120, 8195-8200 (2004).
()Computer simulation of electrodeposition: Hybrid of molecular dynamics and Monte Carlo, Y. Kaneko, T.
Mikami, Y. Hiwatari and K. Ohara, Mol. Sim. 31, Nos. 6-7, 429-433 (2005).
()Molecular Simulation for Nanotechnologies: Application to Industry, Y. Hiwatari, Y. Kaneko and H. Ishida,Mol. Simulation, 30, 819-826 (2005).
()Monte Carlo Simulation of Thin Film Growth with Defect Formation - Application to Via Filling - , Y.
Kaneko, Y. Hiwatari and K. Ohara, Mol. Simulation, 30, 895-899 (2005).
()Time series analysis of ion dynamics in glassy ionic conductors obtained by a molecular dynamics

6

simulation, J. Habasaki, K. L. Ngai and Y. Hiwatari, J. Chem. Phys., 122, 054507-1-10 (2005).
()The time autocorrelation function of intra-dipole moments for a type-A polymer glass, J. Matsui and Y.
Hiwatari, J. Phys. Soc. Jpn. 74, 2849-2852 (2005).
()Kinetic Monte Carlo Simulation of Via Filling: Role of Chloride Ions, Y. Kaneko, Y. Hiwatari, K. Ohara
and F. Isa, Proc. ECS, Phoenix, May 18-23, 2008.
()The Study of the Dynamical Heterogeneity in the Beta-relaxation Time Regime: the Two-dimensional Molecular Dynamics
Simulation with Soft-sphere Particles T. Muranaka, J. Matsui and Y. Hiwatari, Progress of Theoretical Physics Supplement, vol.
178, 133-140 (2009).

II. proceedings()Anomalous diffusion in ionically conducting glasses, J. Habasaki, K. L. Ngai and Y. Hiwatari, Diffusion
Fundamentals I, September 22-24, 2005, Leipzig, Germany.
()Molecular Simulation of Electrodeposition, Y, Hiwatari, Y. Kaneko, T. Mikami, K. Ohara, and F. Asa,
RSCE, New Trends in Technology towards Sustainable Development, Nov. 30th - Dec. 2nd, 2005, Hanoi,
VIETNAM. Proc. vol. 2, pp. 235-240.
()Molecular simulation for electrodeposition: application to chemical engineering, Y. Kaneko, Y. Hiwatari, K.
Ohara, and F. Asa, MM2006, April 19-22, 2006, Perth, Australia.
()Molecular Dynamics and Monte Carlo Simulations of Thin Film Growth with Electrodeposition, Y. Kaneko,
Y. Hiwatari, K. Ohara, and F. Asa, ICASE, April 25-26. 2006, Tokyo, Japan.
()Present and Near-Future Computational Science and Technology in View of the Application to Industries,
Y. Hiwatari, Symposium of Progress and Future Prospects in Molecular Dynamics Simulation – In Memoryof Professor Schuichi Nose -, June 6-8, 2006, Yokohama, Japan.
()Monte Carlo Simulation of the Effect of Additives in Damascene Eectroplating, Y. Kaneko, Y. Hiwaari, K.
Ohara and F. Asa, Symposium of Progress and Future Prospects in Molecular Dynamics Simulation – In
Memory of Professor Schuichi Nose -, June 6-8, 2006, Yokohama, Japan.
()MD Simulation of Martensitic Transformatuion in TiNi Alloys with MEAM, H. Ishida and Y. Hiwatari,
FOMMS2006, July 9-15, 2006, Blaine, USA.

7()Molecular simulation of electrodeposition: Application to Industry, Y. Hiwatari, Y. Kaneko, S.

Nishimura, K. Ohara and F. Asa, International Conference of Computational Science,
December 3-4, 2007, Bandung, Indonesia()Kinetic Monte Carlo Simulation of Via Filling: Role of Chloride Ions, Y. Kaneko, Y. Hiwatari, K. Ohara
and F. Isa, Proc. ECS, Phoenix, May 18-23, 2008.
()Monte Carlo and Molecular Dynamics Studies of the Effects of Additives in Electrodeposition, Yutaka
Kaneko, Shuichi Nishimura, Yasuaki Hiwatari, Katsuhiko Ohara and Fujio Isa, Proc. Interfinish, Busan, June
16-18, 2008.
()The Monte Carlo and Molecular Dynamics Hybrid Simulations for Inhomogeneous Nanometer-Scale
Electrodeposition Growth Processes, Yasuaki Hiwatari, in International Symposium on Multi-Scale
Simulations of Biology and Soft Materials, Tokyo, June 18-20, 2008.
()A Monte Carlo and Molecular Dynamics Hybrid Simulation for Electrodeposition Processes, Yasuaki
Hiwatari, in US-Japan Bilateral Workshop: Large-Scale Molecular Dynamics Simulation and Related topics,
University of California, September 25, 2008.
()Vector-like dynamical heterogeneities in simple glasses, Tadashi Muranaka, Jun Matsui and Yasuaki
Hiwatari, in UCGP2008, Kyoto, November 25 – 28, 2008.
()Multiscale molecular dynamics simulations for the systems involving chemical reactions or clustering,
Yasuaki Hiwatari,第２２回分子シミュレーション討論会、岡山大学、１１月１７日―１９日、２００８年.
()Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process, S. Nishimura, Y.
Kaneko, Y. Hiwatari, K.Ohara and F. Asa, Proceedings of the 214 ECS Meeting 2008.

III. Books / Review Articles() 液体の構造と性質, 戸田盛和, 松田博嗣, 樋渡保秋, 和達三樹, 岩波書店, 1-386 (初版 1976; 再版
2001).
() 液体構造と非晶質構造 - 理論の立場から - , 樋渡保秋, 日本結晶学会誌, 22, 111 (1980).
The Structures of Liquids and Amorphous Solids: Theoretical Aspect, Yasuaki HIWATARI, J. Crystal. Soc.

8

Jpn. 22, 111(1980).
() 単純物質のガラス転移, 樋渡保秋, 日本物理学会誌, 36, 10(1981).
() 計算機実験入門（その 1）, 樋渡保秋, 固体物理, 17, 141(1982).
Introduction to Computer Experiments 1, Yasuaki HIWATARI, Solid State Physics, 17, 141 (1982).
() 計算機実験入門（その 2） - 短距離相互作用の分子動力学 ̶, 樋渡保秋, 固体物理, 17, 197(1982).
Introduction to Computer Experiments 2, Yasuaki HIWATARI, Solid State Physics, 17, 197 (1982).
() 計算機実験入門（その 3） - クーロン系の分子動力学 -, 樋渡保秋, 固体物理, 17, 317(1982).
Introduction to Computer Experiments 3, Yasuaki HIWATARI, Solid State Physics, 17, 317 (1982).
() 計算機実験入門（その 4） - いろいろのアンサンブルの分子動力学 -, 樋渡保秋, 固体物理, 17,452(1982).
Introduction to Computer Experiments 4, Yasuaki HIWATARI, Solid State Physics, 17, 452 (1982).
() 計算機実験入門（その 5; 最終回 ） - モンテカルロ法 -, 樋渡保秋, 固体物理, 18, 144(1983).
Introduction to Computer Experiments 5, Yasuaki HIWATARI, Solid State Physics, 18, 144 (1983).
() 液体とガラスの分子動力学シミュレーション, 樋渡保秋, 計算物理学と計算化学 -分子動力学法とモンテ
カルロ法-, 田中実, 山本良一, 117-133, 海文堂 (1988).
() 非晶質の分子動力学, 樋渡保秋, 固体物理, 24, 108-118(1989).
() ガラス転移の疑似動的臨界現象, 樋渡保秋、宮川博夫、小田垣孝, 日本物理学会誌, 46, 90-97(1991).
() フラーレン生成 MD シミュレーションにおける並列化手法, 林亮子、田中健児、堀口進、樋渡保秋, 物性
研だより第 39 巻, 第 3 号 47-48, (1999)() The solid - by - solid model for crystal growth and electroplating: Kinetic Monte Carlo simulation,Yutaka
Kaneko, Yasuaki Hiwatari, Recent Research Developments in Physics & Chemistry of Solids Vol.1, ed S. G.
Pandalai, Transworld Research Network (Kerela, India), pp.47-64, (2002).
() 固体物理・物質科学（者）に期待すること、樋渡保秋、固体物理 41, 621-626 (2006).

9() 分子シミュレーションのルーツとその変遷、樋渡保秋、分子シミュレーション研究会誌アンサンブル, 40,
9-11(2007)() アルダー転移 50 周年：分子シミュレーションの夜明け -分子動力学とモンテカルロ・シミュレーション-、樋渡保秋、日本物理学会誌 62, 738-743 (2007).

1

Ⅰ. Original Papers(1) ' Ideal Three-Phase Model' and the Melting of Molecular Crystals and Metals, Yasuaki HIWATARI and
Hirotsugu MATSUDA, Prog. Theor. Phys., 47, 741 (1972).
(2) Molecular Dynamics Studies on a Soft-Core Model, Yasuaki HIWATARI, Hirotsugu MATSUDA, Tohru
OGAWA, Naohumi OGITA and Akira UEDA, Progress of Theoretical Physics, 52, 1105(1974).
(3) The soft-Core Model for the Self-Diffusion Constant in Simple Liquids, Yasuaki HIWATARI, Prog.
Theor. Phys., 53, 285 (1975).
(4) The Applicability of the Soft-Core Model of Fluids to Dynamical Properties of Simple Liquids -The
Velocity Autocorrelation Function- , Yasuaki HIWATARI, Prog. Theor. Phys., 53, 915 (1975).
(5) Geometrical Analysis of Crystallization of the Soft-Core Model, Masami TANEMURA, Yasuaki
HIWATARI, Hiratsugu MATSUDA, Tohru OGAWA, Naohumi OGITA and Akira UEDA, Prog. Theor.
Phys., 58, 1079 (1977).
(6) Soliton-Like Properties of Heat Pulses, T. SCHNEIDER, E. Stoll and Yasuaki HIWATARI, Phys. Rev.
Lett., 39, 1382 (1977).
(7) Molecular Dynamics Investigation of Solid-Liquid Coexistence, Yasuaki HIWATARI, E. Stoll and T.
Schneider, J. Chem. Phys., 68, 3401 (1978).
(8) Self-Diffusion and Glass Transition of the Soft-Core Model, Yasuaki HIWATARI, Prog. Theor. Phys.,
59, 1401 (1978).
(9) Geometrical Analysis of Crystallization of the Soft-Core Model in an FCC Crystal Formation, Masaharu
TANEMURA, Yasuaki HIWATARI, Hirotsugu MATSUDA, Tohru OGAWA, Naofumi OGITA and Akira
UEDA, Prog. Theor. Phys., 59, 323 (1978).
(10) Temperature Dependence of the Refractive Indices in the Nematic Phase of 4, 4'-Azoxyanisole, Hisao
DOHATA, Yasuaki HIWATARI and Shin-ichi MATSUOKA, Jpn. J. Appl. Phys., 18, 393(1979).
(11) Molecular Dynamics Studies of the Low-Temperature Amorphous Soft-Core Systems, Yasuaki

2

HIWATARI, J. Phys. Soc. Jpn., 47,733(1979).
(12) Molecular Dynamics Studies of Solid-Liquid Interface of Soft-Core Model, Y. HIWATARI, A. UEDA
and J. TAKADA, J. de Phys Colloque, Supplement No.8, 41, C8, 803(1980).
(13) Monte Carlo Simulations of Superionic CaF2, Y. HIWATARI and A. UEDA, J. Phys. Soc. Jpn., 49,2129(1980).
(14) The Liquid-Glass Transition-Molecular Dynamics Study of the Soft-Core System, Yasuaki HIWATARI,
J. Phys. C: Solid St. Phys., 13, 5899(1980).
(15) Soft-Core Model for Ionic Crystals -Normal Ionic Salts and Superionic Conductors, Yasuaki
HIWATARI, Phys. Letters, A75, 426(1980).
(16) Monte Carlo Study of the Soft-Core Model for α-AgI, Y.HIWATARI and A. UEDA, J. phys. Soc.
Jpn., 48, 766(1980).
(17) Monte Carlo Study of Solid Electrolytes, Y.HIWATARI and A.UEDA, Solid State Ionics., 3/4,
111(1981).
(18) Molecular Dynamics Study of Ionic Motion in α-AgI, Y. HIWATARI, A. FUKUMOTO and A. UEDA,
Solid State Ionics, 3/4, 115(1981).
(19) Molecular Dynamics Studies of Solid-Liquid Interface of Soft-Core Model, Y. HIWATARI, A. UEDA
and J. TAKADA, J. Phys. Soc. Jpn., 50, 307(1981).
(20) Molecular Dynamics Studies of Superionic Conductors-Interionic Potential and Ion-Conducting Phase,
Y. HIWATARI, A. FUKUMOTO and A. UEDA, J. Phys. Soc. Jpn., 51, 3966(1982).
(21) Free Volumes and Liquidlike Clusters in Soft Core Dense Liquids and Glasses, Y. HIWATARI, J.
Chem. Phys., 76, 5502(1982).
(22) Dynamical Structure of Superionic Conductors, Y. HIWATARI, M. HOKAZONO and A. UEDA, Solid
State Ionics, 13, 151(1984).
(23) Structural characterization of soft-core and hard-core glasses by Delaunay tessellation, Y. Hiwatari, T.

3

Saito, and A. Ueda, J. Chem. Phys. 81(12), pp. 6044-6050, (1984)(24) Molecular Dynamics Simulation of the Glass Transition in Binary Mixtures of Soft Spheres, Bernard
BERNU, Yasuaki HIWATARI and Jean-Pierre HANSEN, J. Phys. (France), Supplement No.12, 46,
323-327(1985).
(25) A Molecular Dynamics Study of the Glass Transition in Binary Mixtures of Soft Spheres, Bernard
BERNU, Yasuaki HIWATARI and Jean-Pierre HANSEN, J. Phys. C: Solid State Physics, 18, L371-376(1985).
(26) Superionic Conductivity and Interionic Potential, Yutaka KANEKO, Akira UEDA and Yasuaki
HIWATARI, J. Phys. Soc. Jpn., 55, 1244-1251(1986).
(27) Study of Dynamical Properties of Dense Soft Sphere Fluids and Glasses by Molecular Dynamics,
Yasuaki HIWATARI, Bernard BERNU and Jean-Pierre HANSEN, Condensed Matter Theories, 2,
19-26(1987).
(28) Soft-Sphere Model for the Glass Transition in Binary Alloys:-Pair Structure and Self-Diffusion,
Bernard BERNU, Jean-Pierre HANSEN, Yasuaki HIWATARI and Gorge PASTORE, Phys. Rev., A36,
4891-4903(1987).
(29) Dynamical Slowing Down and Nonexponential Decay of the Density Correlation Function in
Soft-Sphere Supercooled Liquids, Shaw KAMBAYASHI and Yasuaki HIWATARI, J. Phys. Soc. Jpn., 56,
2788-2794(1987).
(30) Molecular Dynamics Study of Binary Soft-Sphere Mixtures -Jump Motions of Atoms in the Glassy
State, Hiroh MIYAGAWA, Yasuaki HIWATARI, Bernard BERNU and Jean Pierre HANSEN, J. Chem. Phys.,88, 3879-3886(1988).
(31) van der Waals Theory on the Supercooled Liquids of Inverse Power Potentials, Shaw KAMBAYASHI
and Yasuaki HIWATARI, Phys. Rev., A37, 852-859(1988).
(32) Bond Orientational Order and Compression Rate Effects on the Hard-and Soft-Sphere Glasses,
Yasuaki HIWATARI, Toshiyuki SAITO and Akira UEDA, Z. Phys. Chem., 157, 59-63 (1988).
(33) Molecular Dynamics Study of Binary Soft-Sphere Glasses: Quench Rate Effects and Aging Effects,

4

Hiroh MIYAGAWA and Yasuaki HIWATARI, Phys. Rev., A40, 6007-6013 (1989).
(34) Soft-Sphere Model for the Glass Transition in Binary Alloys Ⅱ , Relaxation of the Incoherent
Density-Density Correlation Functions, Gorge PASTORE, Bernard BERNU, Jean-Pierre HANSEN and
Yasuaki HIWATARI, Phys. Rev., A38, 454-462 (1988).
(35) Monte Calro Simulation of Two-dimensional Charged Polymers, Jun TAKASHIMA, Masako TAKASU
and Yasuaki HIWATARI, Phys. Rev., A40, 2706-2711 (1989).
(36) Molecular Dynamics Study of Binary Alloys near the Glass Transition, Yasuaki HIWATARI and Hiroh
MIYAGAWA, J. Non-Cryst. Solids, 117/118, 862-870 (1990).
(37) Improved Integral Equation for Highly Supercooled Liquids, Numerical Tests for Soft-Sphere Fluids,
Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A41, 1990-1996 (1990).
(38) Theory of Supercooled Liquids and Glasses for Binary Soft-Sphere Mixtures via Modified
Hypernetted-Chain Integral Equations, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A42,
2176-2183 (1990).
(39) A Modified Hypernetted-Chain Integral Equation for the Supercooled Liquid of Inverse Power
Potentials, Shaw KAMBAYASHI and Yasuaki HIWATARI, J. Non-Cryst. Solids, 117/118, 92-95 (1990).
(40) Dynamical Correlations in Binary Soft Sphere Glasses, Hiroh MIYAGAWA and Yasuaki HIWATARI, J.
Non-Cryst. Solids, 117/118, 903-906 (1990).
(41) Stochastic Model for the Glass Transition of Simple Classical Liquids, Takashi ODAGAKI and Yasuaki
HIWATARI, Phys. Rev., A 41, 929-937(1990).
(42) Stochastic Model for a Glass Transition, Takashi ODAGAKI and Yasuaki HIWATARI, J. Non-Cryst.
Solids, 117/118, 887-889 (1990).
(43) Dynamical Singularities near the Liquid-Glass Transition: Theory and Molecular Dynamics Study,
Yasuaki HIWATARI, Hiroh MIYAGAWA and Takashi ODAGAKI, Solid State Ionics, 47,179-222 (1991).
(44) Molecular-Dynamics Study of the Glass Transition in a Binary Soft-Sphere Model, Hiroh MIYAGAWA
and Yasuaki HIWATARI, Phys. Rev., A44, 8278-8288 (1991).

5(45) Molecular Dynamics Study for the Glass Transition in LiI, Hiroh MIYAGAWA and Yasuaki HIWATARIand Sumiko ITOH, Prog. Theor. Phys. Suppl., 103, 47-60 (1991).
(46) Residence Time Distribution of a Tracer Atom in Supercooled Fluids, Takashi ODAGAKI and Yasuaki
HIWATARI, J. Phys. Condens. Matter, 3, 5191-5194 (1991).
(47) Gaussian-to-non-Gaussian Transition in Supercooled Fluids, Takashi ODAGAKI and Yasuaki
HIWATARI, Phys. Rev., A43, 1103-1106 (1991).
(48) Equilibrium Properties of a Charged Polymer Chain with Short-Range Interactions: Two-Dimensional
Monte Calro Studies, Jun TAKASHIMA, Masako TAKASU and Yasuaki HIWATARI, J. Mol. Sim., 6,199-220 (1991).
(49) A Study of the Mechanism of the Liquid-Glass Transition in Lithium Metasilicate, Junko HABASAKI,
Isao OKADA and Yasuaki HIWATARI, AIP, 256, 187-188 (1992).
(50) Transport and Dynamical Correlation in Glassy States and the Liquid-Glass Transition of a Lithium
Metasilicate, Junko HABASAKI, Isao OKADA and Yasuaki HIWATARI, Solid State Science, 103, 98-108(1992).
(51) Molecular-Dynamics Study of Highly Supercooled Liquids: Dynamical Singularities near the
Liquid-Glass Transition, Yasuaki HIWATARI, Hiroh MIYAGAWA, Tadashi MURANAKA and Kentaro
UEHARA, AIP, 256, 155-164 (1992).
(52) Molecular Dynamics Study of a Self-Diffusion and the Liquid-Glass Transition, Yasuaki HIWATARI,
Solid State Science, 103, 32-48 (1992).
(53) Molecular-Dynamics Study of the Glass Transition of LiI about Dynamical Singularities, Sumiko ITOH,
Hiroh MIYAGAWA and Yasuaki HIWATARI, AIP, 256, 189-190 (1992).
(54) Instability and Phase Separation of a Binary Mixture: The Role of Short-Range Repulsion andCore-Size Ratio, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys. Rev., A46, 1014-1021 (1992).
(55) Apparent Subdiffusive Properties of a Supercooled Fluid, Takashi ODAGAKI and Yasuaki HIWATARI,
Phys. Rev., A46, 1250-1252 (1992).

6(56) Stochastic Dynamics in a Supercooled Fluid, Takashi ODAGAKI and Yasuaki HIWATARI, AIP, 256,115-121 (1992).
(57) A Molecular Dymanics study for Lithium Metasilicate: Liquid and Quenched Supercooled States, J.
Habasaki, I. Okada and Y. Hiwatari, Molecular Simulation Vol/9, pp. 49-63 (1992)(58) Glass Transition Temperatures Studied by MD Simulation of Some Alkali Metasilicates, Junko
HABASAKI, Isao OKADA and Yasuaki HIWATARI, J. Mol. Sim., 10, 19-26 (1993).
(59) Dynamical Singularity of the Glass Transition in Molten Lithium Iodide, Sumiko Itoh, Yasuaki Hiwatariand Hiroh Miyagawa, Journal of Non-Crystalline Solids 156-158, pp. 559-563 (1993)(60) Dynamical Properties of Condensed Charged Polymer Melts, Tadashi HASEGAWA, Jun TAKASHIMA,
Masako TAKASU and Yasuaki HIWATARI, J. Mol. Sim., 12, 365-381 (1994).
(61) Study of the αand β Relaxations in a Supercooled Fluid via Molecular-Dynamics Simulations,
Yasuaki HIWATARI, Jun MATSUI, Kentaro UEHARA, Tadashi MURANAKA, Hiroh MIYAGAWA, Masako
TAKASU and Takashi ODAGAKI, Physica A, 204, 306-327 (1994).
(62) Molecular-Dynamics Study of Dynamical Properties of Dense Soft-Sphere Fluids: The Role ofShort-Range Repulsion of the Intermolecular Potential, Shaw KAMBAYASHI and Yasuaki HIWATARI, Phys.
Rev., E49, 1251-1259 (1994).
(63) Study of the Slow Dynamics in a Highly Supercooled Fluid: Super-Long-Time Molecular Dynamics
Calculation of the Generalized Susceptibility, Jun MATSUI, Takashi ODAGAKI and Yasuaki HIWATARI,
Phys. Rev. Letters, 73, 2452-2455 (1994).
(64) Molecular Dynamics Study of the Diffusion of Hydrogen in Solid Palladium, Tadashi MURANAKA,
Kentaro UEHARA, Masako TAKASU and Yasuaki HIWATARI, J. Mol. Sim., 12, 329-341 (1994).
(65) Slow Dynamics in Super- cooled Liquids, Takashi ODAGAKI, Jun MATSUI and Yasuaki HIWATARI,
Phys. Rev., E49, 3150-3158 (1994).
(66) The Role of Molecular Dynamics Simulations for the Study of Slow Dynamics, Takashi ODAGAKI, Jun
MATSUI, Kentaro UEHARA and Yasuaki HIWATARI, J. Mol. Sim., 12, 299-304 (1994).

7(67) Trapping Diffusion Model for Glass Transition and Slow Dynamics in Supercooled Liquids, Takashi
ODAGAKI, Jun MATSUI and Yasuaki HIWATARI, Physica A, 204, 464-481 (1994).
(68) Molecular-Dynamics Simulations for the Density Autocorrelation Function in a Supercooled Fluid
Phase, Kentaro UEHARA, Tadashi MURANAKA, Hiroh MIYAGAWA, Masako TAKASU and Yasuaki
HIWATARI, J. Mol. Sim., 12, 253-270 (1994).
(69) Jun MATSUI, Hiroh MIYAGAWA, Tadashi MURANAKA, Kentaro UEHARA, Takashi ODAGAKI and
Yasuaki HIWATARI, Calculation of the Generalized Susceptibility for a highly Supercooled Fluid throughMolecular Dynamics Simulation, J. Mol. Sim., 12(3-6), 305-316 (1994).
(70) Numerical Calculation of the Bridge Function for So-ft-Sphere Supercooled Fluids via Molecular
Dynamics Simulations, Shaw Kambayashi and Yasuaki Hiwatari, Molecular Simulation, Vol. 12(3-6), pp.
421-430 (1994)(71) MD Study of the Mixed Alkali Effect in a Lithium-Potassium Metasilicate Glass, Junko HABASAKI,
Isao OKADA and Yasuaki HIWATARI, J. Non-Cryst. Solids, 183, 12-21 (1995).
(72) Origins of the Two-step Relaxation and the Boson Peak in an Alkali Silicate Glass Studied by
Molecular-Dynamics Simulation, Junko HABASAKI, Takashi ODAGAKI and Yasuaki HIWATARI, Phys.
Rev., E52, 2681-2687 (1995).
(73) Slow Dynamics in Supercooled Fluids, Yasuaki HIWATARI, Jun MATSUI, Tadashi MURANAKA and
Takashi ODAGAKI, J. Mol. Liquids, 65/66, 123-130 (1995).
(74) βRelaxation in a Highly Supercooled State via Molecular-Dynamics Simulation, Tadashi MURANAKA
and Yasuaki HIWATARI, Phys. Rev., E51, R2735-R2738（1995）.
(75) MD study of the mixed alkali effect in terms of the potential surface in the lithium-potassium
metasilicate glass, J. Habasaki, I. Okada and Y. Hiwatari, J. Non-Cryst. Solids, 208, 181-190 (1996).
(76) Structural Transformations of Ice at High Pressures via Molecular Dynamics Simulations, T. Hashimoto,
S. Sugawara and Y. Hiwatari, Mol. Sim., 18, 115-132 (1996).
(77) Study on the β peak of χ" for a two- dimensional supercooled fluid state via molecular dynamics

8

simulation, T. Muranaka and Y. Hiwatari, Mol. Sim., 16, 387-397 (1996).
(78) アルカリケイ酸塩ガラスの構造とダイナミックスーガラス転移, 緩和現象と混合アルカリ効果—, 巾崎潤子, 岡田 勲, 樋渡保秋, 高分子論文集, 53、774-787 (1996).
(79) 氷に関する最近の分子動力学シミュレーションー氷の構造相転移—, 橋本 保, 菅原 信, 樋渡保秋,
日本雪氷学会誌 雪氷, 58, 422-424 (1996).
(80) Mixed Alkali Effect in Alkali Metadilicate Glasses, J. Habasaki, I. Okada and Y. Hiwatari, Prog. Theor.
Phys. Suppl., 126, 399-402 (1997).
(81) Fracton Excitation and Levy Flight Dynamics in Alkali Silicate Glasses, J. Habasaki, I. Okada and Y.
Hiwatari, Phys. Rev., B55, 6309-6315 (1997).
(82) Structural transformations of ice at normal and high pressures via molecular dynamics simulations, T.
Hashimoto, S. Sugawara and Y. Hiwatari, J. Phys. Chem., B101, 6293-6300 (1997).
(83) Structural transformations of ice at high pressures via molecular dynamics simulations II, T.Hashimoto,
T. Oda and Y.Hiwatari, Mol. Sim., 18, 395-406 (1997).
(84) Classical Molecular Dynamics for the Formation Process of a Fullerene Molecule, S. Makino, T. Oda
and Y. Hiwatari, J. Phys. Chem. Solids, 58, 1845-1851 (1997).
(85) Coupling between Jump Motions and Correlated Motions, T. Muranaka and Y. Hiwatari, Prog. Theor.
Phys. Suppl., 126 403-406 (1997).
(86) First-principle molecular dynamics calculation of selenium clusters, K. Uehara, M. Ishitobi, T. Oda
and Y. Hiwatari, Z. Phys., D40, 472-475 (1997).
(87) First-principle molecular dynamics calculation of selenium clusters, K. Uehara, M. Ishitobi, T. Oda
and Y. Hiwatari, Mol. Sim., 18, 385-394 (1997).
(88)First-principles molecular dynamics simulations for Se8 and Se8+ clusters, K. Uehara, M. Ishitobi, T.
Oda and Y. Hiwatari, Mol. Sim., 19, 75 – 84 (1997).
(89) High Pressure Phases and the Structural Phase Transition of Selenium, M. Geshi, T. Oda and Y.

9Hiwatari, J. Phys. Soc. Jpn., 67, 3141-3146 (1998).
(90) Loosening up of the Structure in a Mixed Alkali Glass, J. Habasaki and Y. Hiwatari, Phys. Rev., E58,
5111-5114 (1998).
(91) Slow and Fast (Levy Flight) Dynamics in Alkali Metasilicate Glasses, J. Habasaki and Y. Hiwatari, AIP,
469, 563-564 (1998).
(92) Ion Dynamics in pure and mixed Alkali Glasses-Separation of the Spatial and Temporal Aspects-, J.
Habasaki I. Okada and Y. Hiwatari, J. Phys. Soc. Jpn., 67, 2012-2017 (1998).
(93) Structural Heterogeneity in Supercooled Liquids and Glasses, Y. Hiwatari and T. Muranaka, J.
Non-Cryst. Solids., 235-237, 19-26 (1998).
(94) Spatial Heterogeneity in Supercooled Liquids and Glasses, T. Muranaka and Y. Hiwatari, J. Phys. Soc.
Jpn., 67, 1982-1987 (1998).
(95) Temperature Dependence of the Susceptibility on the Glassy Systems, T. Muranaka and Y. Hiwatari,
AIP, 469, 569-570 (1998).
(96) A Unified Interpretation of Structures of Liquid Se and Te-Molecular Dynamics Study-, T. Aoyama, Y.
Hiwatari and A. Ueda, J. Phys. Soc. Jpn., 68, 857-865 (1999).
(97) The Electronic Structure of a High Pressure Monoclinic Selenium and the Structural Phase Transition,
M. Geshi, T. Oda and Y. Hiwatari, J. Phys. Soc. Jpn., 68, 3341-3346 (1999).
(98) Characteristics of slow and fast ion dynamics in a lithium metasilicate glass, J. Habasaki and Y.
Hiwatari, Phys. Rev., B59, 6962-6966 (1999).
(99) H3O+ and OH- in water, T. Hashimoto and Y. Hiwatari, Mol. Sim., 21, 239-247 (1999).
(100) Conformational Transitions of a Diblock Polyampholyte in 2 and 3 Dimensions, J. B. Imbert, J. M.
Victor, N. Tsunekawa and Y. Hiwatari, Phys. Letters, A258, 92-98 (1999).
(101) Thermal conductivity of uranium dioxide by nonequilibrium molecular dynamics simulation, S.
Motoyama, Y. Ichikawa, Y. Hiwatari and A. Oe, Phys. Rev., B60, 292-298 (1999).

10(102) Chain structure of liquid and amorphous selenium: tight-binding molecular dynamics simulation, F.
Shimizu, H. Kaburaki, T. Oda and Y. Hiwatari, J. Non-Cryst. Solids, 250-252, 433-436 (1999).
(103) Structural phase transition of di-block polyampholyte, H. Shimizu, K. Uehara, K. Yamamoto and Y.
Hiwatari, Mol. Sim., 22, 285-301 (1999).
(104) Properties of a Simple Polymer Chain in a Narrow Capillary-2 Dimensional Monte Carlo Study-, Y.
Yoshida and Y. Hiwatari, Mol. Sim., 22, 91-121 (1999).
(105) アルカリケイ酸塩ガラスにおける速いダイナミクスと遅いダイナミクス, 巾崎潤子, 樋渡保秋, 高分子論
文集, 56, 269-281 (1999).
(106) ガラス形成物質の特徴をつかむ, Characterization of the glass forming materials, 村中 正, 樋渡保
秋, 熱物性, 13, 92-101 (1999).
(107) 薄膜成長のモンテカルロシミュレーションー表面構造と格子欠陥—, 金子 豊, 樋渡保秋, 小原勝彦,
村上 透, 表面技術 51, 81-86 (2000).
(108) Order-N tight-binding molecular dynamics simulation with a Fermi operator expansion approach:application to a liquid carbon, T. Oda and Y. Hiwatari, J. Phys.: Condens. Matter, 12, 1627-1639 (2000).
(109) Dynamics in Pure and Mixed Alkali Glasses-Spatial and Temporal Aspects-, Y. Hiwatari and J.
Habasaki, J. Phys.: Condens. Matter, 12, 6405-6412 (2000).
(110) Structural Properties of a Simple Polymer Chain in a Narrow Tube-Monte Carlo Simulation, Y.
Yoshida and Y. Hiwatari, Progr. Theor. Phys. Suppl., 138, 348-353 (2000).
(111) Fast and slow dynamics in metasilicate glasses, J. Habasaki and Y. Hiwatari, Progr. Theor. Phys.
Suppl., 138, 211-216 (2000).
(112) A Molecular Dynamics Simulation of the Carbon Cluster Formation on a Parallel Computer, R.
Hayashi, K. Tanaka, K. Nakano, S. Horiguchi and Y. Hiwatari, Progr. Theor. Phys. Suppl., 138, 262-263(2000).
(113) Surface Structure and Void Formation in Thin Film Growth: A Monte Carlo Simulation, Y. Kaneko, Y.

11Hiwatari, K. Ohara and T. Murakami, Progr. Theor. Phys. Suppl., 138, 126-127 (2000).
(114) Tight-Binding Molecular Dynamics with the Fermi Operator Expansion: Application to Liquid
Carbons, T. Oda and Y. Hiwatari, Progr. Theor. Phys. Suppl., 138, 124-125 (2000).
(115) Electronic Structures and Phase Transitions of selenium under High Pressure with FLAPW method,
M. Geshi, T. Oda and Y. Hiwatari, Progr. Theor. Phys. Suppl., 138, 249-250 (2000).
(116) Monte Carlo Simulation of Thin Film Growth with Lattice Defects, Y. Kaneko, Y. Hiwatari, K. Ohara
and T. Murakami, J. Phys. Soc. Jpn., 69,3607-3613 (2000).
(117) Structural changes of a single polymer chain via multicanonical molecular dynamics simulation, K.
Uehara, H. Shimizu and Y. Hiwatari, AIP, 519, 307-313 (2000).
(118) Computer simulation of crystal growth and void formation, Y. Kaneko, Y. Hiwatari, K. Ohara and T.
Murakami, AIP, 519, 575-577 (2000).
(119)Ｍonte Carlo Simulation of the mixed alkali effect with cooperative jumps,
J. Habasaki and Y. Hiwatari, Phys. Rev., E62, 8790-8793 (2000).
(120) カーボンクラスター生成並列分子動力学法シミュレーションの高速化手法, 林亮子, 樋渡保秋, 堀口進, ハイパーフォーマンス・コンピューティング, 84-6, 31-36 (2000).
(121) Finite-size dependence of the bridge function extracted from molecular dynamics simulations, A.
Baumketner and Y. Hiwatari, Phys. Rev., E63, 61201-1-4 (2001).
(122) Monte Carlo and Molecular Dynamics Study for the Color Rewritable Films, H. Okajima, T.
Kawamura, C. Kongo, Y. Hiwatari, N. Urakami, R. Hayashi and K. Kato, Condensed Matter Physics, 4,25-35 (2001).

(123) The Monte Carlo and Molecular Dynamics Study for the Color Rewritable Films, H. Okajima, T.
Kawamura, C. Kongo, Y. Hiwatari, N. Urakami, R. Hayashi and K. Kato, Foundations of Molecular
Modeling and Simulation, AIChE Symposium Series Vol. 97, pp. 247-250 (2001).
(124) A multicanonical molecular dynamics study for a model protein-g, M. Isobe, H. Shimizu and Y.

12

Hiwatari, Computer Physics Communications, 142, 144-147 (2001).
(125) A Multicanonical Molecular Dynamics Study on a Simple Bead-Spring Model for Protein Folding, M.
Isobe ,H. Shimizu, and Y. Hiwatari, J. Phys. Soc. Jpn, 70, 1233-1236 (2001).
(126) A Comparative Study of the Diffusion Processes in Liquid Binary Alloys with a Tendency toAggregation and Segregation, A. Baumketner, Y. Chushak and Y. Hiwatari, Defect and Diffusion Forum,
188-190, 143-152 (2001).
(127) Dynamical fluctuations in ion conducting glasses: slow and fast components in lithium metasilicate, J.
Habasaki and Y. Hiwatari, Phys. Rev., E 65, 021604, 1-8 (2001).
(128) Electronic structure and structural stability of the high-pressured orthorhombic phase of selenium, M.
Geshi, T. Oda and Y. Hiwatari, J. Phys.: Condens. Matter, 13, 9401-9410 (2001).
(129) Helix transition in di-block polyampholyte, A. Baumketner, H. Shimizu, M. Isobe and Y. Hiwatari, J.
Phys. : Cond. Matt., 13. 10279-10291 (2001).
(130) Instability of hcp structures in modified embedded atom method, K. Mae, T. Nobata, H. Ishida, S.
Motoyama and Y. Hiwatari, Modell. Simul. Mater. Sci. Eng., 10, 205-214 (2002).
(131) A study of water-water interactions in hydrophobic association by a molecular dynamics simulation
with an optimized umbrella sampling method, N. Tsunekawa, H. Miyagawa, K. Kitamura and Y. Hiwatari, J.
Phys. Chem., 116, 6725-6730 (2002).
(132) Structural organization of a chain molecule with specific charge distribution: A molecular dynamics
study, A. Baumketner, H. Shimizu, and Y. Hiwatari, Mol. Sim., 28, 359-375 (2002).
(133) Running multicanonical simulations on deformed energy surface: Application to a model protein, A.
Baumketner and Y. Hiwatari, J. Phys. Soc. Jpn., 71, 1001-1002 (2002).
(134) 欠陥生成を取り入れた薄膜成長のモンテカルロシミュレーション-孔埋め込みへの応用- Monte Carlo
Simulation of Thin Film Growth with Defect Formation-Application to Via Filling -, 金子豊, 樋渡保秋, 小原勝彦, 村上透, 表面技術, 53, 250-255 (2002).
(135) Diffusive dynamics of protein folding studied by molecular dynamics simulations of an off-lattice model,

13

A. Baumketner and Y. Hiwatari, Phys. Rev. E66, 011905-1-6 (2002).
(136) Molecular dynamics study of single and mixed alkali metasilicate - Spatial and temporalcharacterization of the dynamics in the supercooled liquid and glassy states, J.Habasaki and Y. Hiwatari, J.
Non-Cryst.

Solids, 307-310, 930-938 (2002).

(137) Influence of the hydrodynamic interaction on kinetics and thermodynamics of minimal protein models,A. Baumketner and Y. Hiwatari, J.P.S.J, 71, 3069-3079 (2002).
(138) Molecular dynamics study of cage decay, near constant loss and crossover to cooperative ion hoppingin lithium metasilicate, J. Habasaki, K. L. Ngai, and Y. Hiwatari, Phys. Rev. E, 66, 021205-1-11 (2002).
(139) The solid - by - solid model for crystal growth and electroplating: Kinetic Monte Carlo simulation,
Yutaka Kaneko, Yasuaki Hiwatari, Recent Res. Devel. Phys. Chem. Solids, Kerala, India, 1 (2002).
(140) MOLECULAR DYNAMICS STUDY OF DYNAMICAL HETEROGENEITY IN ION CONDUCTING
GLASSES, J. Habasaki and Y. Hiwatari, J. Thermal Analysis and Calorimetry, 69, 1005-1013 (2002).
(141) 希薄系における短距離分子動力学法シミュレーションの実装手法、林亮子、樋渡保秋、堀口進、ハイパーフォマンスコンピューティング、９０−７、３７−４２ （2002）(142) Molecular Dynamics simulation of Martensitic Transformations in NiAl Alloy Using the Modified
Embedded Atom Method, Hiroaki ISHIDA, Satoshi MOTOYAMA, Kazuki MAE, and Yasuaki HIWATARI, J.
Phys. Soc. Jpn., 72, 2539-2545 (2003).
(143) Glass transition in an off-lattice protein model studied by molecular dynamics simulations, A.
Baumketner, J.-E. Shea and Y. Hiwatari, Phys. Rev. E, 67, 011912 (2003).
(144) A combined molecular dynamics simulation, experimental and coupling model study of the ion
dynamics in glassy ionic conductors, K. L. Ngai, J. Habasaki, Y. Hiwatari, and C. Leon, J, Phys. C:
Condensed Matter, 15, S1607-S1632 (2003).
(145) Fast and slow dynamics in single and mixed alkali silicate glasses, J. Habasaki and Y. Hiwatari, J.
Non-Cryst. Solids, 320, 281-290 (2003).
(146) An ideal model for proteins - collaps, folding and glass transitions, Y, Hiwatari and A. Baumketner,

14

Submitted to iccp6-ccp2003, 2003.
(147) Molecular Dynamics Study of Protein Folding: Protential and Mechanisms, A. Baumketner and Y.
Hiwatari, MODELING OF COMPLEX SYSTEMS (American Institute of Physics, New York, (2003),
pp195-204.
(148) Molecular Dynamics Simulations of “The Cooperativity Blockage Effect” in Alkali Metasilicate, J.
Habasaki, K.L. Ngai and Y. Hiwatari, AIP 708, pp.775-777, (2003),(149) Kinetic Monte Carlo Simulation of Via Filling, Y. Kaneko, Y. Hiwatari and K. Ohara, T. Murakami,
AIP 708, pp.777-778, (2003).
(150) Computer simulation of thin film growth with defect formation, Y. Kaneko, Y. Hiwatari, K. Ohara, T.
Murakami, Surface and Coatings Technology 169-170 (2003) 215-218.
(151) Rotations in the phase space of multidimensional reaction coordinate ca improve theoreticaldescription of folding kinetics in off-lattice Go protein models, A. Baumketner, J. - E. Shea and Y. Hiwatari,Nov. 21., 2003.
(152) "Cooperativity blockage" in the mixed alkali effect as revealed by molecular dynamics simulations ofalkali metasilicate glass, J.Habasaki, Kia L. Ngai, and Y.Hiwatari, J. Chem. Phys., 121, 925-934 (2004).
(153) Molecular Dynamics Study of the Mechanism of the Ion Transport in Lithium silicate Glasses-

Characteristic of the Potential Energy Surface and the Structures-, J. Habasaki, Y. Hiwatari, Phys. Rev,
B69, 144207 (1-8) (2004).
(154) Dynamics of caged ions in glassy ionic conductors, J. Habasaki, K.L. Ngai, and Y. Hiwatari, J. Chem.
Phys. 120, 8195-8200 (2004).
(155) A large-scale MD simulation for formation process of carbon cluster on a parallel computer, R.
Hayashi, K. Tanaka, S. Horiguchi and Y. Hiwatari, (High Performance Scientific and Engineering
Computing, ed. L. T. Yang and Y. Pan, Kluwer Academic Publishers, Boston, London, Dordrecht, 2004) pp.
217-230(156) Computer simulation of electrodeposition: Hybrid of molecular dynamics and Monte Carlo, Y. Kaneko,
T. Mikami, Y. Hiwatari and K. Ohara, Mol. Sim. 31, Nos. 6-7, 429-433 (2005).

15(157) Molecular Simulation for Nanotechnologies: Application to Industry, Y. Hiwatari, Y. Kaneko and H.
Ishida, Mol. Simulation, 30, 819-826 (2005).
(158) Monte Carlo Simulation of Thin Film Growth with Defect Formation - Application to Via Filling - , Y.
Kaneko, Y. Hiwatari and K. Ohara, Mol. Simulation, 30, 895-899 (2005).
(159) Improved theoretical description of protein folding kinetics, A. Baumketner, J.- E. Shea, and Y.
Hiwatari, J.CP.(inpress).
(160) Time series analysis of ion dynamics in glassy ionic conductors obtained by a molecular dynamics
simulation, J. Habasaki, K. L. Ngai and Y. Hiwatari, J. Chem. Phys., 122, 054507-1-10 (2005).
(161) めっき析出の分子シミュレーション、金子豊、三上崇志、樋渡保秋、小原勝彦、ＴＥＣＨＮＩＣＡＬ ＲＥＰ
ＯＲＴＳ ＵＥＭＵＲＡ ５７， ３−１１ （２００５）.
(162) The time autocorrelation function of intra-dipole moments for a type-A polymer glass, J. Matsui and
Y. Hiwatari, J. Phys. Soc. Jpn. 74, 2849-2852 (2005).
(163) MONTE CARLO SIMULATION OF DAMASCENE ELECTROPLATING: EFFECTS OF ADDITIVES,
Y. Kaneko, Y. Hiwatari, K. Ohara, and F. Asa, Mol. Simulation, 32, 1227-1232 (2007).
(164) MOLECULAR DYNAMICS – MONTE CARLO HYBRID SIMULATION OF THIN FILM GROWTH
AND VOID FORMATION IN ELECRODEPOSITION PROCESSES, Y. Hiwatari, Y. Kaneko, T. Mikami, K.
Ohara and F. Asa, Mol. Simulation, 33, 133-138 (2007).
(165) MD Simulation of Martensitic Transformatuion in TiNi Alloys with MEAM, H. Ishida and Y. Hiwatari,
J. Mol. Simulation, 33, 459-461 (2007).
(166) Monte Carlo and Molecular Dynamics Studies of the Effects of Additives in Electrodeposition, Yutaka
Kaneko, Shuichi Nishimura, Yasuaki Hiwatari, Katsuhiko Ohara and Fujio Isa, to appeara in JKPS (2008).
(167) Kinetic Monte Carlo Simulation of Via Filling: Role of Chloride Ions, Y. Kaneko, Y. Hiwatari, K.
Ohara and F. Isa, Proc. ECS, Phoenix, May 18-23, 2008.
(168) The Study of the Dynamical Heterogeneity in the Beta-relaxation Time Regime: the Two-dimensional
Molecular Dynamics Simulation with Soft-sphere Particles T. Muranaka, J. Matsui and Y. Hiwatari, Progress16of Theoretical Physics Supplement, vol. 178, 133-140 (2009).

II. Proceedings(1) 'Ideal Three-Phase Model' and the Melting of Molecular Crystals and Metals, Yasuaki HIWATARI and
Hirotsugu MATSUDA, The Properties of Liquid Metals (Proceedings of the Second International
Conference, Edited by S. Takeuchi, Taylor and Francis, London, 1973) 601.
(2) Molecular Dynamical Studies on a Soft-Core Model, Yasuaki HIWATARI, Hirotsugu MATSUDA, Tohru
OGAWA, Akira UEDA and Naohumi OGITA, The Properties of Liquid Metals (Proceedings of the Second
International Conference, Edited by S. Takeuchi, Taylor and Francis, London, 1973), 571.
(3) Metastable States and Possibly Glass States of the Soft-Core System, Yasuaki HIWATARI, Hirotsugu
MATSUDA, Tohru OGAWA, Naohumi OGITA and Akira UEDA, Proc. 12th IUPAP Int. Conf. Stat. Phys.,
109(1975).
(4) Short Range Structure of Liquids and Glasses and the Glass Transition of Soft-and Hard-Core Systems
by Molecular Dynamics, Y. HIWATARI, T. SAITO and A. UEDA, Proceedings of the 15th International
Conference on Thermodynamics and Statistical Mechanics (25-29th July, 1983, University of Edinburgh),
148(1983).
(5) A Two-dimensional Polymer Chain with Short-Range Interactions, Masako TAKASU, Jun TAKASHIMA
and Yasuaki HIWATARI, Proc. of Yamada Conf. on Strongly Charged Plasma Physics (Elsevier Science
Publishers, 1989).
(6) The Liquid-Glass Transition of a Binary Alloys and LiI, Yasuaki HIWATARI, Hiroh MIYAGAWA andSumiko ITOH, Proc. Int. Workshop on Computational Material Science, NRIM, Tsukuba, Aug. 23-24,
57-64(1990).
(7) Stochastic Dynamics of Atoms near a Glass Transition Point, Yasuaki HIWATARI and Takashi
ODAGAKI, Strongly Coupled Plasma Physics (S. Ichimaru, Editor, Elsevier Science Publishers, 1990),
163-166.
(8) New Empirical Bridge Functions of Integral Equation: Application to Binary Supercooled Liquids of the
Twelfth Inverse Power Potential, Shaw KAMBAYASHI and Yasuaki HIWATARI, Strongly Coupled Plasma
Physics (S. Ichimaru, Editor, Elsevier Science Publishers, 1990) , 683-686.

17(9) Molecular-Dynamics Study of Binary Alloys: Dynamical Correlations of the Supercooled Liquids near
the Glass Transition of Binary Soft-Sphere Mixtures, Hiroh MIYAGAWA and Yasuaki HIWATARI, Strongly
Coupled Plasma Physics (S. Ichimaru, Editor, Elsevier Science Publishers, 1990), 167-170.
(10) A Two-Dimensional Polymer Chain with Short-Range Interactions, Masako TAKASHU, Jun
TAKASHIMA and Yasuaki HIWATARI, Strongly Coupled Plasma Physics (S. Ichimaru, Editor, Elsevier
Science Publishers, 1990), 679-682.
(11) Molecular Dynamics Study of PdHx System, Masako TAKASU, Kentarou UEHARA, Tadashi
MURANAKA and Yasuaki HIWATARI, Proc. Int. Workshop on Computational Material Science, NRIM,
Tsukuba, Aug. 23-24, 203-206(1990).
(12) A Molecular Dynamics Study on the Liquid-Glass Transition in Alkali Metasilicates, Junko HABASAKI,
Isao OKADA and Yasuaki HIWATARI, Proc. CAMSE '92, 251-254(1993).
(13) Study on Slow Dynamics of Highiy Supercooled Liquids and the Liquid-Glass Transition via Molecular
Dynamics Simulations, Yasuaki HIWATARI, Kentaro UEHARA, Tadashi MURANAKA and Hiroh
MIYAGAWA, Proc. CAMSE '92, 241-246(1993).
(14) 過 冷却 液 体の遅 い緩 和の 理論 と MD シミュレー ション , 松井 淳 、樋渡 保 秋 、小田 垣孝 , KEK
Proceedings, 93-14, 114-127(1993).
Theory and MD Simulation on Slow Dynamics for Supercooled Liquids, Jun MATSUI, Yasuaki HIWATARI
and Takashi ODAGAKI, KEK Proceedings, 93-14, 114-127(1993).
(15) Molecular Dynamics Simulation for Slow Dynamics in Supercooled Liquids: Effects of Length of time,
Time-Mesh Size and System Size of Simulation, Jun MATSUI, Yasuaki HIWATARI, Tadashi MURANAKA
and Takashi ODAGAKI, Internat. Symp. Mol. Sim., 158(1994).
(16) Study of the β-Peak ofχ" for a Two-Dimensional Supercooled Fluid State via Molecular Dynamics
Simulation, Tadashi MURANAKA and Yasuaki HIWATARI, Internat. Sym. Mol. Sim., 34-35(1994).
(17) 分子動力学法を用いた複雑系の研究, 樋渡保秋, 第 15 回日本熱物性シンポジウム, 385-388(1994).
A Study on complex systems with molecular dynamics simulation, Proc. of The 5th Japan Symposium on
Thermophysical Properties, Toyama, Japan, 18 - 20 october, 1994.

18(18) Glass Transition Singularities and Slow Relaxation, Takashi ODAGAKI, Jun MATSUI and Yasuaki
HIWATARI, Mat. Res. Soc. Symp. Proc., 367, 337-346 (1995).
(19) Mixed Alkali Effect in Alkali Metasilicate Glasses, Junko Habasaki, Isao Okada and Yasuaki Hiwatari,proc. of the Dynamics Glass Transition and Related Topics, 12 - 15 Nov., Kyoto, 1996.
(20) Coupling between Jump Motions and Correlated Motions, Tadashi Muranaka and Yasuaki Hiwatari,proc. of the Dynamics Glass Transition and Related Topics, 12 - 15 Nov., Kyoto, 1996.
(21) STRUCTUAL HETEROGENEITY IN SUPERCOOLED LIQUIDS AND GLASSES, Yasuaki Hiwatari
and Tadashi Muranaka, proc. of the Statistical physics, Fukuoka, Japan, November 4-7, 1997.
(22) SUPERCOOLED FLUIDS OF SOFT SPHERES WITH AND WITHOUT BONDS, Tadashi Muranaka
and Yasuaki Hiwatari, proc. of the Statistical physics, Fukuoka, Japan, November 4-7, 1997.
(23) FREE ENERGY CALCULATION FOR DI-BLOCK COPOLYMER WITH MD ENGINE, Hisashi
Shimizu, Kentaro Uehara and Yasuaki Hiwatari, proc. of the Statistical physics, Fukuoka, Japan, November
4-7, 1997.
(24) Structural heterogeneity in supercooled liquids and glasses, Yasuaki Hiwatari and Tadashi Muranaka,
Proc. of the Non-crystalline solids, Vigo, Spain, 30 June - 11 July 1997.
(25) Relaxation processes and the mixed alkali effect in alkali metasilicate glasses, J. Habasaki, I. Okada
and Y. Hiwatari, Mat. Res. Soc. Symp. Proc., 455,91-102 (1997).
(26) Slow and Fast (Le'vy flight) Dynamics in Alkali Metasilicate Glasses, J. Habasaki and Y. Hiwatari, proc.
of the Slow dynamics in complex system, 9 - 14 Nov. Fukuoka, 1998.
(27) Temperature Dependence of the Susceptibility on the Glassy Systems, Tadashi Muranaka and Yasuaki
Hiwatari, proc. of the Slow dynamics in complex system, 9 - 14 Nov. Fukuoka, 1998.
(28) Dynamics in pure and mixed - alkali glasses - spatial and temporal aspects, Yasuaki Hiwatari and
Junko Habasaki, proc. of the ICTP- NIS Conference on ' Unifying concepts in glass physics ', Trieste, Italy,
15 - 18 September 1999.
(29) Structural changes of a single polymer chain via multicanonical molecular dynamics simulation, Kentaro

19

Uehara and Hisashi Shimizu and Yasuaki Hiwatari, proc. of the Statistical physics, Fukuoka, Japan, 8-12
November 1999.
(30) Computer Simulation of Crystal Growth and Void Formation, Yutaka Kanako, Yasuaki Hiwatari,
Katsuhiko Ohara and Tohyu Murakami, proc. of the Statistical physics, Fukuoka, Japan, 8-12 November
1999.
(31) Tight-Binding Molecular Dynamics with the Fermi Operator Expansion: Application to Liquid Carbons,
Tatsuki Oda and Yasuaki Hiwatari, proc. of the Fifth International Conference on Computational Physics
and Related Topics, Kanazawa, Japan, 11-13 October 1999.
(32) Surface Structure and Void Formation in Thin Film Growth: A Monte Carlo Simulation, Yutaka Kaneko,
Yasuaki Hiwatari, Katsuhiko Ohara and Toru Murakami, proc. of the Fifth International Conference on
Computational Physics, and Related Topics, Kanazawa, Japan, 11-13 October 1999.
(33) Fast and Slow Dynamics in Metasilicate Glasses, Junko Habasaki and Yasuaki Hiwatari, prof. of theFifth International Conference on Computational Physics, and Related Topics, Kanazawa, Japan, 11-13
October 1999.
(34) Electronic Structures and Phase Transitions of Selenium under High Pressure with FLAPW Method,
Masaaki Geshi, Tatsuki Oda and Yasuaki Hiwatari, proc. of the Fifth International Conference on
Computational Physics, and Related Topics, Kanazawa, Japan, 11-13 October 1999.
(35) A Molecure Dynamics Simulation of the Carbon Cluster Formation on a Parallel Computer, Ryoko
Hayashi, Kenzi Tanaka, Katsuya Nakano Susumu Horiguchi and Yasuaki Hiwatari, proc. of the Fifth
International Conference on Computational Physics, and Related Topics, Kanazawa, Japan, 11-13 October
1999.
(36) Structural Properties of a Simple Polymer Chain in a Narrow Tube -Monte Carlo Simulation-,
Yoshimasa Yoshida and Yasuaki Hiwatari, proc. of the Fifth International Conference on Computational
Physics, and Related Topics, Kanazawa, Japan, 11-13 October 1999.
(37) Molecular Dynamics Simulation of Martensittic Transformations in Metal Using the Modified Embedded
Atom Method, H. Ishida, M. Itoh, S. Motoyama, K. Mae and Y. Hiwatari, Proc. the 4th International
Conference on Supercomputing in Nuclear Applications, September 4-7, 2000, Tokyo (2000).

20(38) Monte Carlo and molecular dynamics study for the color rewritable films.
Y. Hiwatari, Proc. of the modern problems of matter theory. Lviv, Ukraine, 27-31 August, 2000.
(39) Molecular dynamics study of a model protein-g. A. Baumketner, H. Shimizu, Y. Hiwatari, Proc. of themodern problems of matter theory. Lviv, Ukraine, 27-31 August, 2000.
(40) The Monte Carlo and Molecular Dynamics Study for the Color Rewritable Films, H. Okajima, T.
Kawamura, C. Kongo, Y. Hiwatari, N. Urakami, R. Hayashi and K. Kato, Proc. of the First International
Conference on Foundations of Molecular Modeling and Simulation, Keystone, Colorado, July 23-28, 2001.
(41) A Classical Molecular Dynamics Simulation of the Carbon Cluster Formation Process on a Parallel
Computer, R.Hayashi, K.Tanaka, S.Horiguchi and Y.Hiwatari, Proc. Diamond, (2001).
(42) Molecular dynamics study of dynamical heterogeneity in ion conducting glasses, J. Habasaki and Y.
Hiwatari, Proc. of the 2nd International Symposium on the New Frontiers of Thermal studies of Materials,
Tokyo, Nov. 27-28, 2001.
(43) Monte Carlo simulation of electrodeposition and void formation, Y.Kaneko, Y.Hiwatari, K. Ohara and
Y.Kaneko, Y.Hiwatari, Proc. FSE2001, Nagoya, 28 October - 1 November, 2001.
(44) Molecular dynamics study of single and mixed alkali metasilicate-Spatial and temporal characterizationof the dynamics in the supercooled liquid and glassy states, J. Habasaki and Y. Hiwatari, Proc. of the 4th
IDMRCS, June, Crete, Greece, 17-23 June 2001.
(45) Electronic structures and space group of the orthorhombic selenium under high-pressure, M. Geshi, T.
Oda and Y. Hiwatari, J. Phys,: Condents. Matter 14, 2002.
(46) Kinetic Monte Calro Simulation of Thin Film Growth with Void Formation - Application to Via Filling -,Y. Hiwatari, Y. Kaneko, K. Ohara and T. Murakami, Proc. of the Fifth International Conference on
Modeling and Simulation of Microsystems. San Juan, Puerto Rico, USA, 21-25 April 2002.
(47) A combined molecular dynamics simulation, experimental and coupling model study of the ion dynamics
in glassy ionic conductors, K. L. Ngai, J. Habasaki, Y. Hiwatari and C. Leon, CECAM proceedings, Lyon,
France, June 2002.
(48) Molecular Dynamics Simulation of Martensitic Transformations in NiAl Alloys Using the Modified

21

Embedded Atom Method, H. Ishida, S. Motoyama, K. Mae and Y. Hiwatari, CCP2002, 25-28 August, San
Diego, 2002.
(49) Molecular dynamics study of protein folding: potentials and mechanisms, A. Baumketner and Y.
Hiwatari, Proc. of the 7th International Granada Seminar, 2-7 Sept., 2002.
(50) DYNAMICAL SIGNIFICANCE IN ALKALI METASILICATE GLASSES, Y. Hiwatari and J. Habasaki,
Proc. of 2nd International Conderence PHYSICS OF LIQUID MATTER: MODERN PROBLEMS, Kyiv,
Ukraine, 12- 15 Sept., 2003.
(51) Molecular Dynamics Simulations of “The Cooperativity Blockage Effect” in Alkali Metasilicate, J.
Habasaki, K.L. Ngai and Y. Hiwatari, Slow Dynamics in Complex Systems (Proc. of 3rd International
Symposium Institute of Fluid Science, Sendai, Japan, 3-8 Nov., 2003), pp.775-777.
(52) Kinetic Monte Carlo Simulation of Via Filling, Y. Kaneko, Y. Hiwatari and K. Ohara, T. Murakami,
Slow Dynamics in Complex Systems (Proc. of 3rd International Symposium Institute of Fluid Science, Sendai,
Japan, 3-8 Nov., 2003), pp.777-778.
(53) Recent advances on dynamics of ions in single and mixed alkali glasses: Insights from molecular
dynamics simulation, J. Habasaki, K. L. Ngai and Y. Hiwatari, C. T. Moynihan, Proc. of the 16th University
Conference on Glass Science, Troy, NY, August 13-15., 2003
(54) Molecular Simulation for Nanotechnologies: Application to Industry, Y. Hiwatari, Y. Kaneko and H.
Ishida, Proc. of the International Conference on Molecular Simulation (ICMS) and Computational Science
Workshop 2004 (CSW2004), Tsukuba, Japan, January 13-15.,2004.
(55) Molecular Dynamics Study of Ion dynamics in the Nearly - Constant - Loss Region, J. Habasaki, K. L.
Ngai and Y. Hiwatari, Proc. of the International Conference on Molecular Simulation (ICMS) andComputational Science Workshop 2004 (CSW2004), Tsukuba, Japan, January 13-15, 2004.
(56) Monte Carlo Simulation of Thin Film Growth with Defect Formation - Application to Via Filling -, Y.
Kaneko, Y. Hiwatari and K. Ohara, Proc. of the International Conference on Molecular Simulation (ICMS)
and Computational Science Workshop 2004 (CSW2004), Tsukuba, Japan, January 13-15, 2004.
(57) Computer Simulation of Electrodeposition - Hybrid Method of Molecular Dynamics and Monte Carlo -,T. Yokoyama, Y. Kaneko and Y. Hiwatari, Proc. of the International Conference on Molecular Simulation

22(ICMS) and Computational Science Workshop 2004 (CSW2004), Tsukuba, Japan, January 13-15.,2004.
(58) Computer simulation of electrodeposition: Hybrid of molecular dynamics and Monte Carlo, Y. Kanako,
T. Mikami, Y. Hiwatari and K. Ohara, Pacific Rim Conference in Nano Science, Broome, Australia, 7-11th
Sept. 2004.
(59) Martensitic Transformations in NiAl Alloy System
Hiroaki Ishida and Yasuaki Hiwatari (2005.8.30 大阪にて口頭発表)(60) Anomalous diffusion in ionically conducting glasses, J. Habasaki, K. L. Ngai and Y. Hiwatari, Diffusion
Fundamentals I, September 22-24, 2005, Leipzig, Germany.
(61) Molecular Simulation of Electrodeposition, Y, Hiwatari, Y. Kaneko, T. Mikami, K. Ohara, and F. Asa,
RSCE, New Trends in Technology towards Sustainable Development, Nov. 30th - Dec. 2nd, 2005, Hanoi,
VIETNAM. Proc. vol. 2, pp. 235-240.
(62) Molecular simulation for electrodeposition: application to chemical engineering, Y. Kaneko, Y. Hiwatari,
K. Ohara, and F. Asa, MM2006, April 19-22, 2006, Perth, Australia.
(63) Molecular Dynamics and Monte Carlo Simulations of Thin Film Growth with Electrodeposition, Y.
Kaneko, Y. Hiwatari, K. Ohara, and F. Asa, ICASE, April 25-26. 2006, Tokyo, Japan.
(64) Present and Near-Future Computational Science and Technology in View of the Application to
Industries, Y. Hiwatari, Symposium of Progress and Future Prospects in Molecular Dynamics Simulation –In Memory of Professor Schuichi Nose -, June 6-8, 2006, Yokohama, Japan.
(65) Monte Carlo Simulation of the Effect of Additives in Damascene Eectroplating, Y. Kaneko, Y. Hiwaari,
K. Ohara and F. Asa, Symposium of Progress and Future Prospects in Molecular Dynamics Simulation – In
Memory of Professor Schuichi Nose -, June 6-8, 2006, Yokohama, Japan.
(66) MD Simulation of Martensitic Transformatuion in TiNi Alloys with MEAM, H. Ishida and Y. Hiwatari,
FOMMS2006, July 9-15, 2006, Blaine, USA.
(67) Molecular simulation of electrodeposition: Application to Industry, Y. Hiwatari, Y. Kaneko,

S. Nishimura, K. Ohara and F. Asa, International Conference of Computational Science,
December 3-4, 2007, Bandung, Indonesia

23(68) Kinetic Monte Carlo Simulation of Via Filling: Role of Chloride Ions, Y. Kaneko, Y. Hiwatari, K. Ohara
and F. Isa, Proc. ECS, Phoenix, May 18-23, 2008.
(69) Monte Carlo and Molecular Dynamics Studies of the Effects of Additives in Electrodeposition, Yutaka
Kaneko, Shuichi Nishimura, Yasuaki Hiwatari, Katsuhiko Ohara and Fujio Isa, Proc. Interfinish, Busan, June
16-18, 2008.
(70) The Monte Carlo and Molecular Dynamics Hybrid Simulations for Inhomogeneous Nanometer-Scale
Electrodeposition Growth Processes, Yasuaki Hiwatari, in International Symposium on Multi-Scale
Simulations of Biology and Soft Materials, Tokyo, June 18-20, 2008.
(71) A Monte Carlo and Molecular Dynamics Hybrid Simulation for Electrodeposition Processes, Yasuaki
Hiwatari, in US-Japan Bilateral Workshop: Large-Scale Molecular Dynamics Simulation and Related topics,
University of California, September 25, 2008.
(72) Vector-like dynamical heterogeneities in simple glasses, Tadashi Muranaka, Jun Matsui and Yasuaki
Hiwatari, in UCGP2008, Kyoto, November 25 – 28, 2008.
(73) Multiscale molecular dynamics simulations for the systems involving chemical reactions or clustering,
Yasuaki Hiwatari,第２２回分子シミュレーション討論会、岡山大学、１１月１７日―１９日、２００８年.
(74) Molecular Simulation Approach to the Effects of Additives in Electrodeposition Process, S. Nishimura,Y. Kaneko, Y. Hiwatari, K.Ohara and F. Asa, Proceedings of the 214 ECS Meeting 2008.

III. Books / Review Articles(1) The Effect of Interatomic Potential on the Feature of Solid-Liquid Phase Transition, Hirotsugu
MATSUDA, and Yasuaki HIWATARI, Cooperative Phenomena (H. Haken and M. Wagner, Editors,
Springer-Verlag, Berlin, 1973), 250-275.
(2) 液体の構造と性質, 戸田盛和, 松田博嗣, 樋渡保秋, 和達三樹, 岩波書店, 1-386 (初版 1976; 再版
2001).
(3) 液体構造と非晶質構造 - 理論の立場から - , 樋渡保秋, 日本結晶学会誌, 22, 111 (1980).
The Structures of Liquids and Amorphous Solids: Theoretical Aspect, Yasuaki HIWATARI, J. Crystal. Soc.

24

Jpn. 22, 111(1980).
(4) 単純物質のガラス転移, 樋渡保秋, 日本物理学会誌, 36, 10(1981).
(5) 計算機実験入門（その 1）, 樋渡保秋, 固体物理, 17, 141(1982).
Introduction to Computer Experiments 1, Yasuaki HIWATARI, Solid State Physics, 17, 141 (1982).
(6) 計算機実験入門（その 2） - 短距離相互作用の分子動力学 ̶, 樋渡保秋, 固体物理, 17, 197(1982).
Introduction to Computer Experiments 2, Yasuaki HIWATARI, Solid State Physics, 17, 197 (1982).
(7) 計算機実験入門（その 3） - クーロン系の分子動力学 -, 樋渡保秋, 固体物理, 17, 317(1982).
Introduction to Computer Experiments 3, Yasuaki HIWATARI, Solid State Physics, 17, 317 (1982).
(8) 計算機実験入門（その 4） - いろいろのアンサンブルの分子動力学 -, 樋渡保秋, 固体物理, 17,452(1982).
Introduction to Computer Experiments 4, Yasuaki HIWATARI, Solid State Physics, 17, 452 (1982).
(9) 計算機実験入門（その 5; 最終回 ） - モンテカルロ法 -, 樋渡保秋, 固体物理, 18, 144(1983).
Introduction to Computer Experiments 5, Yasuaki HIWATARI, Solid State Physics, 18, 144 (1983).
(10) 液体とガラスの分子動力学シミュレーション, 樋渡保秋, 計算物理学と計算化学 -分子動力学法とモン
テカルロ法-, 田中実, 山本良一, 117-133, 海文堂 (1988).
(11) 非晶質の分子動力学, 樋渡保秋, 固体物理, 24, 108-118(1989).
(12) ガ ラ ス 転 移 の 疑 似 動 的 臨 界 現 象 , 樋 渡 保 秋 、 宮 川 博 夫 、 小 田 垣 孝 , 日 本 物 理 学 会 誌 , 46,
90-97(1991).
(13) Molecular-Dynamics Study of Supercooled Liquids and the Theory of the Glass Transition, Yasuaki
HIWATARI, Jun MATSUI, Tadashi MURANAKA and Takashi ODAGAKI, J. phys. Soc. Jpn., Comp.
Physics as a New Frontier in Condensed Matter Res., 326-339(1995).
(14) Molecular-dynamics simulation for the formation process of a fullerene molecule, Y.Hiwatari and T.Oda,
RIKEN Rev., 14, 7-8 (1996).
(15) フラーレン生成 MD シミュレーションにおける並列化手法, 林亮子、田中健児、堀口進、樋渡保秋, 物

25

性研だより第 39 巻, 第 3 号 47-48, (1999)(16) The solid - by - solid model for crystal growth and electroplating: Kinetic Monte Carlosimulation,Yutaka Kaneko, Yasuaki Hiwatari, Recent Research Developments in Physics & Chemistry ofSolids Vol.1, ed S. G. Pandalai, Transworld Research Network (Kerela, India), pp.47-64, (2002).
(17) めっき析出の分子シミュレーション、金子豊、三上崇志、樋渡保秋、小原勝彦、ＴＥＣＨＮＩＣＡＬ ＲＥＰＯＲＴＳ (UEMURA), 57, 3-11(2005).
(18) 固体物理・物質科学（者）に期待すること、樋渡保秋、固体物理 41, 621-626 (2006).
(19) 分子シミュレーションのルーツとその変遷、樋渡保秋、分子シミュレーション研究会誌アンサンブル, 40,
9-11(2007)(20) アルダー転移 50 周年：分子シミュレーションの夜明け -分子動力学とモンテカルロ・シミュレーション-、
樋渡保秋、日本物理学会誌 62, 738-743 (2007).