Atomistic Computer Simulations

DOI10.1002/9783527671816zbMath1273.81003OpenAlexW3141554777MaRDI QIDQ4916290

Veronika Brázdová, D. R. Bowler

Publication date: 22 April 2013

Full work available at URL: https://doi.org/10.1002/9783527671816

zbMATH Keywords

energy minimizationMonte Carlomolecular dynamicsdensity functionalatomistic computer simulation

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Atomic physics (81V45) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Related Items (2)

SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems ⋮ SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters

Uses Software

• Unnamed Item

This page was built for publication: Atomistic Computer Simulations