International Symposium on

Ab Initio Electron Dynamics Simulations

November 14-16, 2018
International Congress Center EPOCAL TSUKUBA

November 14 (Wednesday)
8:30 ‒Registration[Chair: Tomohito Otobe]

9:10 ‒ 9:20

Opening (Kazuhiro Yabana)

9:20 ‒ 10:00

Kieron Burke
University of California, Irvine“Understanding TDDFT with the Hubbard dimer”

10:00 ‒ 10:40

John J. Rehr
University of Washington“Exchange and correlation in real-time and finite-temperature TDDFT”

Break[Chair: Eric Suraud]
11:10 ‒ 11:50

Lin-Wang Wang
Lawrence Berkeley National Laboratory“Fast real time TDDFT and non-adiabatic molecular dynamics withdetailed balance and dephasing”

11:50 ‒ 12:30

Guanhua Chen
University of Hong Kong
“Time-dependent density functional theory for open systems and itsapplications”

Lunch Break[Chair: Shiwu Gao]
14:00 ‒ 14:40

Sheng Meng
Institute of Physics, Chinese Academy of Sciences“Emergence of new states in photoexcited solids”

14:40 ‒ 15:10

Junhyeok Bang
Korea Basic Science Institute“Dephasing-induced ultrafast charge transfer in van der Waals
heterostructures”

Break[Chair: Kalman Varga]
15:40 ‒ 16:20

Eric Suraud
Paul Sabatier University“On the inclusion of dissipative effects in clusters and molecules”

16:20 ‒ 16:50

Kazuyuki Watanabe
Tokyo University of Science“Electron emission from nano carbon induced by laser irradiation, plasmon
excitation and electron impact”

17:00 ‒ 18:30

Poster session (with drinks and snacks)

November 15 (Thursday)
8:30 ‒Registration[Chair: Sheng Meng]

9:00 ‒ 9:40

Everhard K.U. Gross
Max Planck Institute of Microstructure Physics“Laser-induced spin dynamics in solids: Some predictions from real-time
TDDFT”

9:40 ‒ 10:10

Noejung Park
Ulsan National Institute of Science and Technology“Ab initio study of ultrafast spin dynamics of spin-orbit coupled
semiconductor under the influence of circularly-polarized external fields”

Break[Chair: George F. Bertsch]
10:40 ‒ 11:10

Simone Latini
Max Planck Institute for the Structure and Dynamics of Matter“Ab-initio exciton-polaritons: Cavity control of dark excitons in twodimensional materials”

11:10 ‒ 11:40

Hirohiko Kono
Tohoku University“Multiconfigurational theories for the dynamics of molecules in intenselaser fields: Anisotropic ionization of CO and structural deformation of C60”

11:40 ‒ 12:10

Takeshi Sato
University of Tokyo“Time-dependent wavefunction-based methods for intense laser-driven
multielectron dynamics”

Lunch Break[Chair: John J. Rehr]
13:30 ‒ 14:00

Yasushi Shinohara
University of Tokyo“Electron dynamics simulation for solid-state high-harmonic generation
based on first-principles theory”

14:00 ‒ 14:20

Shi-Qi Hu
Institute of Physics, Chinese Academy of Sciences“Strong field induced even order high harmonic generation in graphene”

14:20 ‒ 14:40

Isabella Floss
Vienna University of Technology“Accounting for decoherence in solid-state TDDFT”

14:40 ‒ 15:10

Hannes Huebener
Max Planck Institute for the Structure and Dynamics of Matter“Floquet analysis of excitations in solids”

Break (Conference Photo)[Chair: Yoshiyuki Miyamoto]
15:40 ‒ 16:20

Kalman Varga
Vanderbilt University“Volkov basis for simulation of interaction of strong laser pulses and solids”

16:20 ‒ 17:00

Shiwu Gao
Beijing Computational Sciences Research Center“Tunable spin and water transport through graphene nano channels”

18:00 ‒ 20:00

Banquet at restaurant ESPOIR, 1st floor, EPOCAL Tsukuba

November 16 (Friday)
8:30 ‒Registration[Chair: Lin-Wang Wang]

9:00 ‒ 9:40

Thomas A. Niehaus
Claude Bernard University Lyon 1“Electron dynamics from approximate time-dependent density functionaltheory”

9:40 ‒ 10:20

Yosuke Kanai
University of North Carolina at Chapel Hill
“Electronic stopping from non-equilibrium real-time TDDFT simulation:Development and applications”

Break[Chair: Guanhua Chen]
10:50 ‒ 11:20

Xavier Andrade
Lawrence Livermore National Laboratory“Calculation of non-linear electrical and thermal conductivity with realtime TDDFT”

11:20 ‒ 11:50

Kenji Iida
Institute for Molecular Science“Photoinduced electron dynamics of heterointerface systems simulated
by massively parallel calculations”

11:50 ‒ 12:10

Shunsuke Yamada
University of Tsukuba“Microscopic and macroscopic descriptions for interaction of ultrashortlight pulse with thin materials”

Lunch Break[Chai: Yosuke Kanai]
13:30 ‒ 14:00

Yoshiyuki Miyamoto
Institute of Advanced Industrial Science and Technology“Thermal and non-thermal laser-induced lattice dynamics examined byTDDFT”

14:00 ‒ 14:20

Lei Yan
University of Tokyo“Plasmon-induced ultrafast hydrogen production in liquid water”

14:20 ‒ 14:50

Tomohito Otobe
Kansai Photon Science Institute“Laser-solid interaction in non-perturbative regime”[Chair: Everhard K.U. Gross]
15:20 ‒ 15:50

Mitsuharu Uemoto
University of Tsukuba“Maxwell+TDDFT ab initio multi-scale simulation and application tonano-optics”

15:50 ‒ 16:10

Atsushi Yamada
University of Tsukuba“Maxwell + nonadiabatic ab initio MD multi-scale simulation andapplication to impulsive stimulated Raman scattering spectroscopy”

16:10 ‒ 16:30

George F. Bertsch
University of Washington“Summary”

Poster presentations
P‒1
Srijana Bhandari
Kent State University“Fundamental gaps of condensed-phase organic semiconductors from single-moleculepolarization-consistent optimally-tuned screened range-separated hybrid functional”
P‒2
Daeho Han
Ulsan National Institute of Science and Technology“Orbital-based surface hopping dynamics with decoherence”
P‒3Ken Horikawa
University of Tsukuba“Length versus velocity gauge calculation for electron dynamics in crystalline solids”
P‒4
Mehmet Emin Kilic
Yonsei University“Interface effects on the ionic conductivity of doped Ceria‒Yttria-stabilized zirconia
heterointerface”
P‒5
In Seong Lee
Ulsan National Institute of Science and Technology“Decoherence induced surface hopping dynamics based on exact factorization and itsapplications”
P‒6Chang Woo Myung
Ulsan National Institute of Science and Technology“X-ray absorption fine structure spectra of single Pt on N-doped coronene”
P‒7
Masashi Noda
University of Tsukuba“Direct wave vector excitations of silicon induced by optical near fields”
P‒8
Shota Ono
Gifu University“Semiclassical derivation of the Rothwarf-Taylor model for quasiparticle and phonon
dynamics in superconductors”

P‒9
Dongbin Shin
Ulsan National Institute of Science and Technology“Enhancement of the 2nd order responses of insulators through a Berry curvature engineering”
P ‒ 10Suhwan SongYonsei University“Correction abnormal DFT calculation via density correction”
P ‒ 11
Takashi Takeuchi
University of Tsukuba“Optical properties of metallic nanoparticle arrays calculated by SALMON”
P ‒ 12
Mitsuharu Uemoto
University of Tsukuba
Spatio-temporal analysis of nonlinear optical responses by time-dependent density functionaltheory
P ‒ 13Atsushi Yamada
University of Tsukuba“First-principles electron dynamics simulation study of high intensity laser irradiation on
crystal systems: Pulse frequency dependent energy transfer”
P ‒ 14
Shengjie Zhang
Institute of Physics, Chinese Academy of Sciences“Laser induced magnetization in monolayer MoS2”