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Journal Articles
- 2018
[j7]Murat Keçeli
, Fabiano Corsetti, Carmen Campos, José E. Román, Hong Zhang, Álvaro Vázquez-Mayagoitia, Peter Zapol, Albert F. Wagner:
SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package. J. Comput. Chem. 39(22): 1806-1814 (2018)- 2016
- [j6]Murat Keçeli, Hong Zhang, Peter Zapol, David A. Dixon, Albert F. Wagner:
Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding. J. Comput. Chem. 37(4): 448-459 (2016) - 2005
- [j5]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. Clust. Comput. 8(4): 243-253 (2005) - 1999
- [j4]Jeffrey L. Tilson, Michael Minkoff, Albert F. Wagner, Ron L. Shepard, Paul Sutton, Robert J. Harrison, Ricky A. Kendall, Adrian T. Wong:
High-Performance Computational Chemistry: Hartree-Fock Electronic Structure Calculations on Massively Parallel Processors. Int. J. High Perform. Comput. Appl. 13(4): 291-302 (1999) - 1996
- [j3]Ian T. Foster, Jeffrey L. Tilson, Albert F. Wagner, Ron L. Shepard, Robert J. Harrison, Ricky A. Kendall, Rik J. Littlefield:
Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms. J. Comput. Chem. 17(1): 109-123 (1996) - [j2]Robert J. Harrison, Martyn F. Guest, Ricky A. Kendall, David E. Bernholdt, Adrian T. Wong, Mark Stave, James L. Anchell, Anthony C. Hess, Rik J. Littlefield, George L. Fann, Jarek Nieplocha, Greg S. Thomas, David Elwood, Jeffrey L. Tilson, Ron L. Shepard, Albert F. Wagner, Ian T. Foster, Ewing L. Lusk, Rick Stevens:
Toward high-performance computational chemistry: II. A scalable self-consistent field program. J. Comput. Chem. 17(1): 124-132 (1996) - 1991
- [j1]Mutsumi Aoyagi, Ron L. Shepard, Albert F. Wagner:
An Ab Initio Theoretical Study of the CH + H2 ⇌ Ch3 * ⇌ Ch2 + H Reactions. Int. J. High Perform. Comput. Appl. 5(1): 72-89 (1991)
Conference and Workshop Papers
- 2020
- [c4]Maryam Zare, Ali Ayub, Aishan Liu, Sweekar Sudhakara, Albert F. Wagner, Rebecca J. Passonneau:
Dialogue Policies for Learning Board Games through Multimodal Communication. SIGdial 2020: 339-351 - 2004
- [c3]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
- [c2]Carmen M. Pancerella, John C. Hewson, Wendy S. Koegler, David Leahy, Michael Lee, Larry A. Rahn, Christine L. Yang, James D. Myers, Brett T. Didier, Renata McCoy, Karen Schuchardt, Eric G. Stephan, Theresa L. Windus, Kaizar Amin, Sandra Bittner, Carina Lansing, Michael Minkoff, Sandeep Nijsure, Gregor von Laszewski, Reinhardt Pinzon, Branko Ruscic, Al Wagner, Baoshan Wang, William Pitz, Yen-Ling Ho, David Montoya, Lili Xu, Thomas C. Allison, William H. Green Jr., Michael Frenklach:
Metadata in the Collaboratory for Multi-Scale Chemical Science. Dublin Core Conference 2003: 121-129 - 2002
- [c1]Gregor von Laszewski, Branko Ruscic, Patrick Wagstrom, Sriram Krishnan, Kaizar Amin, Sandeep Nijsure, Sandra Bittner, Reinhardt Pinzon, John C. Hewson, Melita L. Morton, Michael Minkoff, Al Wagner:
A Grid Service-Based Active Thermochemical Table Framework. GRID 2002: 25-38
Coauthor Index
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