A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

Published: 01-12-2009| Version 1 | DOI: 10.17632/4yjpmbwprp.1
Contributors:
Akila Gothandaraman,
Gregory D. Peterson,
G. Lee Warren,
Robert J. Hinde,
Robert J. Harrison

Description

Abstract Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of... Title of program: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue Id: AEEP_v1_0 Nature of problem Quantum Monte Carlo is a practical method to solve the Schrödinger equation for large many-body systems and obtain the ground-state properties of such systems. This method involves the sampling of a number of configurations of atoms and averaging the properties of the configurations over a number of iterations. We are interested in applying the QMC method to obtain the energy and other properties of highly quantum clusters, such as inert gas clusters. Versions of this program held in the CPC repository in Mendeley Data AEEP_v1_0; Hardware Accelerated Quantum Monte Carlo (HAQMC); 10.1016/j.cpc.2009.06.027 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Files