Computer Simulation in Chemical Physics
By: edited by M.P. Allen, D.J. Tildesley
Contributors: Tildesley, D. J.
Series: NATO ASI Series, Series C: Mathematical and Physical Sciences, 1389-2185 -- 397; NATO ASI series -- 397.
Publisher: Springer Netherlands; Imprint; Springer
Published: 1993
Place of publication: Dordrecht
Language: eng
Format: [electronic resource] /
Number of pages: 532
ISBN-13: 9789401116794
Other titles: Proceedings of the NATO Advanced Study Institute on 'New Perspectives in Computer Simulation in Chemical Physics', Alghero, Sardinia, Italy, September 14-24, 1992
Description: <Em>Computer Simulation in Chemical Physics</em> contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software.<br/> All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.