GPU acceleration of the locally selfconsistent multiple scattering code for first principles calculation of the ground state and statistical physics of materials

DOI10.1016/J.CPC.2016.07.013zbMath1376.81080OpenAlexW3023479823MaRDI QIDQ1686955

Markus Eisenbach, James H. Rogers, Justin Lutjens, Jeff Larkin, Steven C. Rennich

Publication date: 18 December 2017

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2016.07.013

zbMATH Keywords

phase transitionsMonte-Carlo methodsfirst-principles calculation

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Many-body theory; quantum Hall effect (81V70) Numerical algorithms for specific classes of architectures (65Y10)

Related Items (1)

Fully-relativistic full-potential multiple scattering theory: a pathology-free scheme

Cites Work

• Equation of State Calculations by Fast Computing Machines
• Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium

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