Quantum Corrections in the Computer Simulation of Simple Liquids and Solids PDF Download

Author: Nigel Corbin
Publisher:
ISBN:
Category :
Languages : en
Pages :

View

Book Description

Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412

View

Book Description
Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.

Author: Sohail Murad
Publisher:
ISBN:
Category : Liquids
Languages : en
Pages : 606

View

Book Description

Author:
Publisher:
ISBN: 9789171559012
Category :
Languages : en
Pages : 65

View

Book Description

Author: Harvey Gould
Publisher: Addison Wesley Publishing Company
ISBN:
Category : Computers
Languages : en
Pages : 412

View

Book Description

Author: Richard Catlow
Publisher: Springer Science & Business Media
ISBN: 9400924844
Category : Science
Languages : en
Pages : 543

View

Book Description
Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of application include topics as diverse as the viscosity of liquids, the conformation of proteins, the behaviour of hydrogen in metals, the diffusion of molecules in porous catalysts and the properties of micelles. This book, which is based on a NATO ASI held at the University of Bath, UK, from September 5th-17th, 1988, aims to give a general survey of this field, with detailed discussions both of methodologies and of applications. The earlier chapters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and solids. Special attention is paid to the role of interatomic potentials which are the fundamental physical input to simulations. In addition, developments in computer hardware are considered in depth, owing to the crucial role which such developments are playing in the expansion of the horizons of computer modelling studies.

Author: M.P. Allen
Publisher: Springer Science & Business Media
ISBN: 9401116792
Category : Science
Languages : en
Pages : 522

View

Book Description
Computer Simulation in Chemical Physics 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. 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.

Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 0198803192
Category : Computers
Languages : en
Pages : 641

View

Book Description
This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.

Author: Surendra K. Saxena
Publisher: Springer Science & Business Media
ISBN: 1461228425
Category : Science
Languages : en
Pages : 380

View

Book Description
With the rapid development of fast processors, the power of a mini-super computer now exists in a lap-top box. Quite sophisticated techniques are be coming accessible to geoscientists, thus making disciplinary boundaries fade. Chemists and physicists are no longer shying away from computational mineral ogical and material science problems "too complicated to handle." Geoscientists are willing to delve into quantitative physico-chemical methods and open those "black boxes" they had shunned for several decades but with which had learned to live. I am proud to present yet another volume in this series which is designed to break the disciplinary boundaries and bring the geoscientists closer to their chemist and physicist colleagues in achieving a common goal. This volume is the result of an international collaboration among many physical geochemists (chemists, physicists, and geologists) aiming to understand the nature of material. The book has one common theme: namely, how to determine quantitatively through theory the physico-chemical parameters of the state of a solid or fluid.

Author: Guillermo Velarde
Publisher: CRC Press
ISBN: 1000098850
Category : Science
Languages : en
Pages : 766

View

Book Description
Nuclear Fusion by Inertial Confinement provides a comprehensive analysis of directly driven inertial confinement fusion. All important aspects of the process are covered, including scientific considerations that support the concept, lasers and particle beams as drivers, target fabrication, analytical and numerical calculations, and materials and engineering considerations. Authors from Australia, Germany, Italy, Japan, Russia, Spain, and the U.S. have contributed to the volume, making it an internationally significant work for all scientists working in the Inertial Confinement Fusion (ICF) field, as well as for graduate students in engineering and physics with interest in ICF.