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| 2012 | ||
|---|---|---|
| 22 | Andrey Asadchev, Mark S. Gordon: Mixed-precision evaluation of two-electron integrals by Rys quadrature. Computer Physics Communications 183(8): 1563-1567 (2012) | |
| 2010 | ||
| 21 | Lakshminarasimhan Seshagiri, Meng-Shiou Wu, Masha Sosonkina, Zhao Zhang, Mark S. Gordon, Michael W. Schmidt: Enhancing adaptive middleware for quantum chemistry applications with a database framework. IPDPS Workshops 2010: 1-8 | |
| 20 | Hui Li, Dmitri G. Fedorov, Takeshi Nagata, Kazuo Kitaura, Jan H. Jensen, Mark S. Gordon: Energy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation. Journal of Computational Chemistry 31(4): 778-790 (2010) | |
| 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) | |
Colors in the list of coauthors
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