Atomistic computer simulations : a practical guide /

This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Brázdová, Veronika
Other Authors: Bowler, D. R. (David R.)
Format: Electronic eBook
Language:Inglés
Published: Weinheim : Wiley-VCH, [2013]
Subjects:
Atoms > Computer simulation.
Molecular dynamics > Computer simulation.
Atomes > Simulation par ordinateur.
Dynamique moléculaire > Simulation par ordinateur.
SCIENCE > Physics > Nuclear.
Molecular dynamics > Computer simulation
Online Access:Texto completo
Table of Contents:
  • pt. 1. The world at the atomic scale
  • pt. 2. Introducing equations to describe the system
  • pt. 3. Describing interactions between atoms
  • pt. 4. Setting up and running the calculation
  • pt. 5. Analyzing results.

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