2009 |
10 | EE | Lonnie D. Crosby,
Shawn M. Kathmann,
Theresa L. Windus:
Implementation of dynamical nucleation theory with quantum potentials.
Journal of Computational Chemistry 30(5): 743-749 (2009) |
2008 |
9 | 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 |
8 | 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) |
7 | EE | Joseph P. Kenny,
Curtis L. Janssen,
Edward F. Valeev,
Theresa L. Windus:
Components for integral evaluation in quantum chemistry.
Journal of Computational Chemistry 29(4): 562-577 (2007) |
2006 |
6 | EE | Joseph P. Kenny,
Curtis L. Janssen,
Ida M. B. Nielsen,
Manojkumar Krishnan,
Vidhya Gurumoorthi,
Edward F. Valeev,
Theresa L. Windus:
Poster reception - Component architectures for quantum chemistry: forging new capabilities and insights.
SC 2006: 137 |
2005 |
5 | EE | Manojkumar Krishnan,
Yuri Alexeev,
Theresa L. Windus,
Jarek Nieplocha:
Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays.
SC 2005: 23 |
4 | EE | James D. Myers,
Thomas C. Allison,
Sandra Bittner,
Brett T. Didier,
Michael Frenklach,
William H. Green Jr.,
Yen-Ling Ho,
John C. Hewson,
Wendy S. Koegler,
Carina Lansing,
David Leahy,
Michael Lee,
Renata McCoy,
Michael Minkoff,
Sandeep Nijsure,
Gregor von Laszewski,
David Montoya,
Luwi Oluwole,
Carmen M. Pancerella,
Reinhardt Pinzon,
William Pitz,
Larry A. Rahn,
Branko Ruscic,
Karen Schuchardt,
Eric G. Stephan,
Al Wagner,
Theresa L. Windus,
Christine L. Yang:
A Collaborative Informatics Infrastructure for Multi-Scale Science.
Cluster Computing 8(4): 243-253 (2005) |
2004 |
3 | EE | James D. Myers,
Thomas C. Allison,
Sandra Bittner,
Brett T. Didier,
Michael Frenklach,
William H. Green Jr.,
Yen-Ling Ho,
John C. Hewson,
Wendy S. Koegler,
Carina Lansing,
David Leahy,
Michael Lee,
Renata McCoy,
Michael Minkoff,
Sandeep Nijsure,
Gregor von Laszewski,
David Montoya,
Carmen M. Pancerella,
Reinhardt Pinzon,
William Pitz,
Larry A. Rahn,
Branko Ruscic,
Karen Schuchardt,
Eric G. Stephan,
Al Wagner,
Theresa L. Windus,
Christine L. Yang:
A Collaborative Informatics Infrastructure for Multi-scale Science.
CLADE 2004: 24 |
2003 |
2 | EE | Theresa L. Windus,
Eric J. Bylaska,
Michel Dupuis,
So Hirata,
Lisa Pollack,
Dayle M. Smith,
Tjerk P. Straatsma,
Edoardo Aprà:
NWChem: New Functionality.
International Conference on Computational Science 2003: 168-180 |
2002 |
1 | 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- |