A. Wong

发表

ESP: A System Utilization Benchmark

Leonid Oliker, David H. Bailey, William T. C. Kramer, 2000, ACM/IEEE SC 2000 Conference (SC'00).

NWChem: Past, present, and future.

T. Straatsma, V. Tipparaju, J. Nieplocha, 2020, The Journal of chemical physics.

Comparison of the ESP Benchmark with Observed System Utilization

D. Bailey, L. Oliker, W. Kramer, 2010 .

Ab initio potential energy surface and vibrational frequencies of HCN

G. Bacskay, A. Wong, 1993 .

Toward high-performance computational chemistry: II. A scalable self-consistent field program

David E. Bernholdt, Robert J. Harrison, Ian T. Foster, 1996, Journal of Computational Chemistry.

Electron and energy transfer through bridged systems. 6. Molecular switches: the critical field in electric field activated bistable molecules

Adrian T. Wong, Noel S. Hush, Jeffrey R. Reimers, 1990 .

High performance computational chemistry: An overview of NWChem a distributed parallel application

David E. Bernholdt, Tjerk P. Straatsma, Robert J. Harrison, 2000 .

Supplementary Material (ESI) for PCCP This journal is © the Owner Societies 2011 The Energetics of Covalent and Non-covalent Binding in Complexes Containing Phosphate and Cationic Amino Groups

R. Littlefield, V. Tipparaju, J. Nieplocha, 2011 .

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry

N. Hush, J. Reimers, G. Bacskay, 1992 .

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave

N. Hush, J. Reimers, G. Bacskay, 1992 .

Ab initio polarizability derivatives for methane: an application to Raman intensities of overtone and combination bands

N. Hush, G. Bacskay, A. Wong, 1991 .

NWChem: Past, present, and future.

Jeffery S. Boschen, Nicholas P. Bauman, T. Straatsma, 2020, The Journal of chemical physics.

Ab initio prediction of the vibrational frequencies of N2S

G. Bacskay, A. Wong, 1994 .

Ab initio potential energy surface and vibrational frequencies of N2O

G. Bacskay, A. Wong, 1993 .

Approaches to large‐scale parallel self‐consistent field calculations

Robert J. Harrison, Adrian T. Wong, R. Harrison, 1995, J. Comput. Chem..

High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Applications

David E. Bernholdt, Robert J. Harrison, Jarek Nieplocha, 1995, PARA.

High-Performance Computational Chemistry: Hartree-Fock Electronic Structure Calculations on Massively Parallel Processors

Robert J. Harrison, Michael Minkoff, Albert F. Wagner, 1999, Int. J. High Perform. Comput. Appl..

High-performance computing in chemistry: NW Chem

David E. Bernholdt, Robert J. Harrison, Jarek Nieplocha, 1996, Future Gener. Comput. Syst..

Parallel computational chemistry made easier: The development of NWChem

David E. Bernholdt, Robert J. Harrison, Jeffrey A. Nichols, 1995 .