Quantum Monte Carlo on graphical processing units

DOI10.1016/j.cpc.2007.03.004zbMath1196.81044OpenAlexW2102902545MaRDI QIDQ710187

William A. III Goddard, Amos G. Anderson, Peter Schröder

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2007.03.004

zbMATH Keywords

quantum Monte Carlomatrix multiplicationfloating point errorde-normalsgraphical processing unitsKahan summation formula

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Computational methods for problems pertaining to quantum theory (81-08)

Related Items (10)

Fast quantum Monte Carlo on a GPU ⋮ Accelerating solidification process simulation for large-sized system of liquid metal atoms using GPU with CUDA ⋮ Air pollution modelling using a graphics processing unit with CUDA ⋮ Speeding up plane-wave electronic-structure calculations using graphics-processing units ⋮ Toward large-scale hybrid Monte Carlo simulations of the Hubbard model on graphics processing units ⋮ GPU-accelerated algorithms for many-particle continuous-time quantum walks ⋮ Pseudo-random number generators for Monte Carlo simulations on ATI graphics processing units ⋮ Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming ⋮ SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach ⋮ Molecular structural mechanics approach to carbon nanotubes on graphics processing units

Uses Software

• ATLAS
• GAMESS
• CUDA
• GPGPU
• QMcBeaver

Cites Work

• Unnamed Item
• A floating-point technique for extending the available precision
• Equation of State Calculations by Fast Computing Machines
• Darboux transformations and the symmetric fourth Painlevé equation
• A comparison of methods for accurate summation
• Automated empirical optimizations of software and the ATLAS project

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