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 “LinearScaling”

Orbital-free DFT with PAWs

January 21, 2015 . DFT .
An implementation of OFDFT using PAWs
DFT LinearScaling

Linear scaling methods

November 28, 2014 . Techniques .
An overview of the state of linear scaling DFT methods
DFT LinearScaling MD

Local hyperdynamics

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