Mark S. Gordon

According to our database1, Mark S. Gordon authored at least 41 papers between 1993 and 2019.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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In proceedings 
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PhD thesis 
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Links

On csauthors.net:

Bibliography

2019
Application of a semi-empirical dispersion correction for modeling water clusters.
J. Comput. Chem., 2019

Effect of frequency scaling granularity on energy-saving strategies.
Int. J. High Perform. Comput. Appl., 2019

2018
Comparisons of core and uncore frequency scaling modes in quantum chemistry application GAMESS.
Proceedings of the High Performance Computing Symposium, 2018

2017
ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio Data.
J. Chem. Inf. Model., 2017

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor.
CoRR, 2017

An efficient MPI/openMP parallelization of the Hartree-Fock method for the second generation of Intel® Xeon Phi processor.
Proceedings of the International Conference for High Performance Computing, 2017

2016
A new approach for second-order perturbation theory.
J. Comput. Chem., 2016

Nontotally symmetric trifurcation of an SN2 reaction pathway.
J. Comput. Chem., 2016

2015
Tango: Accelerating Mobile Applications through Flip-Flop Replication.
GetMobile Mob. Comput. Commun., 2015

Ab initio calculation of anion proton affinity and ionization potential for energetic ionic liquids.
J. Comput. Chem., 2015

Performance and energy efficiency analysis of 64-bit ARM using GAMESS.
Proceedings of the 2nd International Workshop on Hardware-Software Co-Design for High Performance Computing, 2015

Accelerating Mobile Applications through Flip-Flop Replication.
Proceedings of the 13th Annual International Conference on Mobile Systems, 2015

2014
Shared-memory parallelization of a local correlation multi-reference CI program.
Comput. Phys. Commun., 2014

2012
Mixed-precision evaluation of two-electron integrals by Rys quadrature.
Comput. Phys. Commun., 2012

Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS.
Proceedings of the 2012 SC Companion: High Performance Computing, 2012

Abstract: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS.
Proceedings of the 2012 SC Companion: High Performance Computing, 2012

COMET: Code Offload by Migrating Execution Transparently.
Proceedings of the 10th USENIX Symposium on Operating Systems Design and Implementation, 2012

ADEL: an automatic detector of energy leaks for smartphone applications.
Proceedings of the 10th International Conference on Hardware/Software Codesign and System Synthesis, 2012

2010
Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation.
J. Comput. Chem., 2010

Enhancing adaptive middleware for quantum chemistry applications with a database framework.
Proceedings of the 24th IEEE International Symposium on Parallel and Distributed Processing, 2010

2009
Development of high performance scientific components for interoperability of computing packages.
Proceedings of the 2009 Spring Simulation Multiconference, SpringSim 2009, 2009

Adaptive Application Composition in Quantum Chemistry.
Proceedings of the Architectures for Adaptive Software Systems, 2009

2008
A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership.
Scientific Programming, 2008

Constructing a performance database for large-scale quantum chemistry packages.
Proceedings of the 2008 Spring Simulation Multiconference, 2008

2007
Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer.
J. Comput. Chem., 2007

A parallel distributed data CPHF algorithm for analytic Hessians.
J. Comput. Chem., 2007

Coupled cluster algorithms for networks of shared memory parallel processors.
Comput. Phys. Commun., 2007

Integrating Performance Tools with Large-Scale Scientific Software.
Proceedings of the 21th International Parallel and Distributed Processing Symposium (IPDPS 2007), 2007

2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
J. Comput. Chem., 2006

Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives.
J. Comput. Chem., 2006

Dynamic Algorithm Selection in Parallel GAMESS Calculations.
Proceedings of the 2006 International Conference on Parallel Processing Workshops (ICPP Workshops 2006), 2006

2004
A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO).
J. Comput. Chem., 2004

2003
Direct dynamics simulations.
Comput. Sci. Eng., 2003

Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model.
Proceedings of the ACM/IEEE SC2003 Conference on High Performance Networking and Computing, 2003

Recent Advances in QM and QM/MM Methods.
Proceedings of the Computational Science - ICCS 2003, 2003

2002
A Distributed Data Implementation of Parallel Full CI Program.
Proceedings of the 2002 IEEE International Conference on Cluster Computing (CLUSTER 2002), 2002

Performance and Implementation of Distributed Data CPHF and SCF Algorithms.
Proceedings of the 2002 IEEE International Conference on Cluster Computing (CLUSTER 2002), 2002

2001
New parallel optimal-parameter fast multipole method (OPFMM).
J. Comput. Chem., 2001

New Materials Design.
Proceedings of the Computational Science - ICCS 2001, 2001

1996
Ab initio study of cyclic siloxanes (H2SiO)n: n = 3, 4, 5.
J. Comput. Chem., 1996

1993
General atomic and molecular electronic structure system.
J. Comput. Chem., 1993


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