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 “Size”

Local hyperdynamics

July 25, 2014 . Techniques .
An approach to speeding up sampling of rare events
MD Size Thermostat LinearScaling

How large should your simulation be ?

May 14, 2014 . DFT .

DFT parameters Size