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Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters
Found in: Computing in Science and Engineering
By Kenneth P. Esler,Jeongnim Kim,David M. Ceperley,Luke Shulenburger
Issue Date:January 2012
pp. 40-51
More accurate than mean-field methods and more scalable than quantum chemical methods, continuum quantum Monte Carlo (QMC) is an invaluable tool for predicting the properties of matter from fundamental principles. Because QMC algorithms offer multiple form...