A Practical Introduction to the Simulation of Molecular Systems
| Author | : | |
| Rating | : | 4.75 (555 Votes) |
| Asin | : | 0521852528 |
| Format Type | : | paperback |
| Number of Pages | : | 344 Pages |
| Publish Date | : | 2016-12-12 |
| Language | : | English |
DESCRIPTION:
Field is Group Leader of the Laboratoire de Dynamique Moléculaire at the Institut de Biologie Structurale - Jean-Pierre Ebel, Grenoble. His areas of research include using molecular modeling and simulation techniques to study biological problems more specifically, his current interests are in the development and application of hybrid potential techniques to study enzy
This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. Supplementary material, including the program library and technical information, available through cambridge/9780521852524.. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This is a valuable resource for researchers and graduate students wanting to know how to use at
"pretty coo." according to Otavio Good. This book is aa-ight. It is more about how to use their library for molecular simulation than it is about writing your own from scratch. But it has a few good insights. Overall, it's a good one for the collection of molecular simulation books if that's your thing. :)
It is suitable for university course work, including computer practicals as well as for training company employees new to molecular simulation.' Florian Müller-Plathe, Angewandte ChemieReview of the first edition: 'The book should be particularly useful to all active practitioners in molecular simulation techniques, chiefly graduate students and researchers in universities and industry this book is a valuable addition to my shelf and one that I must make sure doesn't disappear because my research grou