Quantum Monte Carlo on graphical processing units

DOI10.1016/J.CPC.2007.03.004MaRDI QIDQ710187zbMATHOpenAlexFDO

Authors Amos G. Anderson, William A. III Goddard, 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) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

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Cites work

• scientific article; zbMATH DE number 1178976 (Why is no real title available?)
• A comparison of methods for accurate summation
• A floating-point technique for extending the available precision
• Automated empirical optimizations of software and the ATLAS project
• Darboux transformations and the symmetric fourth Painlevé equation
• Equation of state calculations by fast computing machines

Cited in

(17)

• Molecular structural mechanics approach to carbon nanotubes on graphics processing units
• GPU acceleration of the locally selfconsistent multiple scattering code for first principles calculation of the ground state and statistical physics of materials
• Air pollution modelling using a graphics processing unit with CUDA
• Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming
• Pseudo-random number generators for Monte Carlo simulations on ATI graphics processing units
• Accelerating solidification process simulation for large-sized system of liquid metal atoms using GPU with CUDA
• SCELib3.0: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach
• Accelerating spectral atomic and molecular collisions methods with graphics processing units
• Speeding up plane-wave electronic-structure calculations using graphics-processing units
• A hardware-accelerated quantum Monte Carlo framework (HAQMC) for \(N\)-body systems
• Accelerated impurity solver for DMFT and its diagrammatic extensions
• GPU: Accelerated Computation Routines for Quantum Trajectories Method
• Toward large-scale hybrid Monte Carlo simulations of the Hubbard model on graphics processing units
• Schur complement solver for quantum Monte-Carlo simulations of strongly interacting fermions
• GPU-accelerated algorithms for many-particle continuous-time quantum walks
• Fast quantum Monte Carlo on a GPU
• GPU accelerated tensor contractions in the plaquette renormalization scheme

Describes a project that uses

Uses Software

• ATLAS
• GAMESS
• CUDA
• GPGPU
• QMcBeaver

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