By Benedict Leimkuhler
By Sebastian Reich
Publisher: Cambridge University Press
Print Publication Year:2005
Online Publication Date:December 2009
The simulation of matter by direct computation of individual atomic motions has become an important element in the design of new drugs and in the construction of new materials. This book demonstrates how to implement the numerical techniques needed for such simulation, thereby aiding the design of new, faster, and more robust solution schemes. Clear explanations and many examples and exercises will ensure the value of this text for students, professionals, and researchers.