2008 |
16 | EE | Meng-Shiou Wu,
Hirotoshi Mori,
Jonathan L. Bentz,
Theresa L. Windus,
Heather Netzloff,
Masha Sosonkina,
Mark S. Gordon:
Constructing a performance database for large-scale quantum chemistry packages.
SpringSim 2008: 393-400 |
2007 |
15 | EE | Meng-Shiou Wu,
Jonathan L. Bentz,
Fang Peng,
Masha Sosonkina,
Mark S. Gordon,
Ricky A. Kendall:
Integrating Performance Tools with Large-Scale Scientific Software.
IPDPS 2007: 1-8 |
14 | EE | Jonathan L. Bentz,
Ryan M. Olson,
Mark S. Gordon,
Michael W. Schmidt,
Ricky A. Kendall:
Coupled cluster algorithms for networks of shared memory parallel processors.
Computer Physics Communications 176(9-10): 589-600 (2007) |
13 | EE | Lyudmila V. Slipchenko,
Mark S. Gordon:
Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer.
Journal of Computational Chemistry 28(1): 276-291 (2007) |
12 | EE | Yuri Alexeev,
Michael W. Schmidt,
Theresa L. Windus,
Mark S. Gordon:
A parallel distributed data CPHF algorithm for analytic Hessians.
Journal of Computational Chemistry 28(10): 1685-1694 (2007) |
2006 |
11 | EE | Nurzhan Ustemirov,
Masha Sosonkina,
Mark S. Gordon,
Michael W. Schmidt:
Dynamic Algorithm Selection in Parallel GAMESS Calculations.
ICPP Workshops 2006: 489-496 |
10 | EE | Timothy J. Dudley,
Ryan M. Olson,
Michael W. Schmidt,
Mark S. Gordon:
Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives.
Journal of Computational Chemistry 27(3): 352-362 (2006) |
9 | EE | Dmitri G. Fedorov,
Kazuo Kitaura,
Hui Li,
Jan H. Jensen,
Mark S. Gordon:
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
Journal of Computational Chemistry 27(8): 976-985 (2006) |
2004 |
8 | EE | Dmitri G. Fedorov,
Ryan M. Olson,
Kazuo Kitaura,
Mark S. Gordon,
Shiro Koseki:
A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO).
Journal of Computational Chemistry 25(6): 872-880 (2004) |
2003 |
7 | EE | Mark S. Gordon,
Michael W. Schmidt:
Recent Advances in QM and QM/MM Methods.
International Conference on Computational Science 2003: 75-83 |
6 | EE | Ryan M. Olson,
Michael W. Schmidt,
Mark S. Gordon,
Alistair P. Rendell:
Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model.
SC 2003: 41 |
2002 |
5 | EE | Yuri Alexeev,
Michael W. Schmidt,
Theresa L. Windus,
Mark S. Gordon,
Ricky A. Kendall:
Performance and Implementation of Distributed Data CPHF and SCF Algorithms.
CLUSTER 2002: 135- |
4 | EE | Zhengting Gan,
Yuri Alexeev,
Ricky A. Kendall,
Mark S. Gordon:
A Distributed Data Implementation of Parallel Full CI Program.
CLUSTER 2002: 476-479 |
2001 |
3 | EE | Jerry Boatz,
Mark S. Gordon,
Gregory A. Voth,
Sharon Hammes-Schiffer,
Ruth Pachter:
New Materials Design.
International Conference on Computational Science (1) 2001: 1108-1116 |
2 | EE | Cheol Ho Choi,
Klaus Ruedenberg,
Mark S. Gordon:
New parallel optimal-parameter fast multipole method (OPFMM).
Journal of Computational Chemistry 22(13): 1484-1501 (2001) |
1996 |
1 | EE | Takako Kudo,
Fujiko Hashimoto,
Mark S. Gordon:
Ab initio study of cyclic siloxanes (H2SiO)n: n = 3, 4, 5.
Journal of Computational Chemistry 17(9): 1163-1170 (1996) |