The aim of the book is to describe some of the recent advances,
through computer simulation in a broad sense, in the understanding
of the complex processes occurring in solids and liquids.The rapid
growth of computer power, including the new parallel processors,
has stimulated a ferment of new theoretical and computational
ideas, which have been developed in particular by the authors in a
pluriennal research project supported by Consiglio Nazionale delle
Ricerche (CNR) for the development of novel software for large
scale computations.The book will cover advances in ab initio
(Car-Parrinello) molecular dynamics, quantum monte carlo
simulations, self-consistent density functional computation of
electronic states, classical molecular dynamics simulation of
thermodynamic processes, chemical reactions and transport
properties.Besides the description of the results of these
techniques in leading edge applications, the book will address
specific aspects of the algorithms and software which have been
developed by the authors in order to implement in an efficient way
the new theoretical advances in these computationally intensive
problems.These aspects which are generally not discussed in any
detail in the literature, can be of great help for newcomers in the
World Scientific Publishing
|Country of origin:
• Franca Manghi
• L. Reatto
• F. Manghi
||Electronic book text
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