 | 2009 |
| 19 |  | Li Li,
Joseph P. Kenny,
Meng-Shiou Wu,
Kevin A. Huck,
Alexander Gaenko,
Mark S. Gordon,
Curtis L. Janssen,
Lois C. McInnes,
Hirotoshi Mori,
Heather Netzloff,
Boyana Norris,
Theresa L. Windus:
Adaptive Application Composition in Quantum Chemistry.
QoSA 2009: 194-211 |
| 18 |  | Teena P. Gulabani,
Masha Sosonkina,
Mark S. Gordon,
Curtis L. Janssen,
Joseph P. Kenny,
Heather Netzloff,
Theresa L. Windus:
Development of high performance scientific components for interoperability of computing packages.
SpringSim 2009 |
| 2008 |
| 17 |  | 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 |
| 16 |  | Joseph P. Kenny,
Curtis L. Janssen,
Mark S. Gordon,
Masha Sosonkina,
Theresa L. Windus:
A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership.
Scientific Programming 16(4): 287-296 (2008) |
| 2007 |
| 15 |  | 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 |  | 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 |  | 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 |  | 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 |  | Nurzhan Ustemirov,
Masha Sosonkina,
Mark S. Gordon,
Michael W. Schmidt:
Dynamic Algorithm Selection in Parallel GAMESS Calculations.
ICPP Workshops 2006: 489-496 |
| 10 |  | 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 |  | 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 |  | 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 |  | Mark S. Gordon,
Michael W. Schmidt:
Recent Advances in QM and QM/MM Methods.
International Conference on Computational Science 2003: 75-83 |
| 6 |  | 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 |  | 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 |  | 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 |  | 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 |  | 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 |  | 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) |