Graham D. Fletcher

Argonne National Laboratory — United States

Physics and Astronomy · Physical Sciences

12h-index722citations43works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(17), Spectroscopy and Quantum Chemical Studies(12), Atomic and Molecular Physics(6), Parallel Computing and Optimization Techniques(5), Mass Spectrometry Techniques and Applications(4)

Publications43 total

VSVB: A Tutorial on VALENCE
Elsevier eBooks·2023
Variational Subspace Valence Bond
Elsevier eBooks·2022
FY22 Proxy App Suite Release
2022· 2 citedOpen Access
Prediction of correlation energies using variational subspace valence bond
The Journal of Chemical Physics·2022· 1 citedOpen Access
FY21 Proxy App Suite Release: Report for ECP Proxy App Project Milestone ADCD504-12
2021Open Access
FY20 Proxy App Suite Release: Report for ECP Proxy App Project Milestone ADCD-504-10
2020· 1 citedOpen Access
Proxy App Suite Release (FY2020)
2020Open Access
A data-parallel many-source shortest-path algorithm to accelerate macroscopic transport network assignment
Transportation Research Part C Emerging Technologies·2019· 11 citedOpen Access
<b> <scp>Valence</scp> </b> : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
Journal of Computational Chemistry·2019· 3 citedOpen Access
Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
2018Open Access
Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
2018· 1 citedOpen Access
Advanced Electronic Structure Methods for Heterogeneous Catalysis and Separation of Heavy Metals
2017Open Access
Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method
Journal of Chemical Theory and Computation·2016· 46 cited
Accelerating Traffic Models Using GPU-Based Technology
European Transport Conference 2016Association for European Transport (AET)·2016· 3 cited
The variational subspace valence bond method
The Journal of Chemical Physics·2015· 12 cited
Heuristic static load-balancing algorithm applied to the fragment molecular orbital method
IEEE International Conference on High Performance Computing, Data, and Analytics·2012· 21 cited
Heuristic static load-balancing algorithm applied to the fragment molecular orbital method
2012 International Conference for High Performance Computing, Networking, Storage and Analysis·2012· 24 cited
Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS
2012
Abstract: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS
2012
Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital Method
Journal of Chemical Theory and Computation·2011· 50 cited
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Frequent Co-authors

Mark S. Gordon(9), Yuri Alexeev(8), Christopher E. Dateo(7), Winifred M. Huo(6), Michael W. Schmidt(4), Dmitri G. Fedorov(4), Colleen Bertoni(4), Murat Keçeli(4), Michael D’Mello(4), Ramesh Balakrishnan(4), Christoph Junghans(4), Amanda Lund(4), Robert Pavel(4), Vinay Ramakrishnaiah(4), Spencer R. Pruitt(3), Maricris L. Mayes(3), Graham Doggett(3), David F. Richards(3), Christine M. Aikens(2), Simon P. Webb(2)