Work

Zori 1.0: A parallel quantum Monte Carlo electronic structure package

Year: 2005

Type: article

Abstract: The Zori 1.0 package for electronic structure computations is described. Zori performs variational and diffusion Monte Carlo computations as well as correlated wave function optimization. This article presents an overview of the implemented methods and code capabilities. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 856–862, 2005

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.20215

Authors: Alán Aspuru–Guzik, Romelia Salomón–Ferrer, Brian Austin, Raul Perusquía–Flores, Mary A. Griffin, Ricardo A. Oliva, David Skinner, Dominik Domin, William A. Lester

Institutions: University of California, Berkeley, Lawrence Berkeley National Laboratory, National Energy Research Scientific Computing Center

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, U.S. Department of Energy, Office of Science, Basic Energy Sciences, Laboratory Directed Research and Development, Core Research for Evolutional Science and Technology

Awards: G1398330795, Computational Center for Molecular Structure and Interactions, Computational Center for Molecular Structure and Interactions

OpenAlex ID: W1987705698

FWCI: 1.661

Cites: 45

Cited by: 27

Related to: 10