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 “vdW”

Ionic materials and van der Waals

August 8, 2014 . DFT .
How well DFT with vdW methods model ionic materials
DFT vdW

Approaches to dispersion in DFT

April 25, 2014 . DFT .

DFT vdW

DFT Accuracy for weak interactions

March 21, 2014 . DFT .

Accuracy DFT vdW