Atomistic Computer Simulations: A Practical Guide

Many books explain the theory of atomistic computer simulations; this book teaches you how to run them

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Posts tagged “searching”

Exploring energy landscapes

November 27, 2015 . tutorials .
A discussion of how to find energetic minima and transition states
searching Techniques

Benchmarking search techniques

December 12, 2014 . Techniques .
An approach to benchmark different search techniques
searching