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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 16 occurrences of 15 keywords
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Results
Found 28 publication records. Showing 28 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
129 | Theresa L. Windus, Eric J. Bylaska, Michel Dupuis, So Hirata, Lisa Pollack, Dayle M. Smith, Tjerk P. Straatsma, Edoardo Aprà |
NWChem: New Functionality. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2003, International Conference, Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part IV, pp. 168-180, 2003, Springer, 3-540-40197-0. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
55 | Vinod Tipparaju, Edoardo Aprà, Weikuan Yu, Jeffrey S. Vetter |
Enabling a highly-scalable global address space model for petascale computing. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Conf. Computing Frontiers ![In: Proceedings of the 7th Conference on Computing Frontiers, 2010, Bertinoro, Italy, May 17-19, 2010, pp. 207-216, 2010, ACM, 978-1-4503-0044-5. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
armci, nwchem, xt5, ga, gas, flow control, pgas, global address space, global arrays |
55 | 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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SpringSim ![In: Proceedings of the 2009 Spring Simulation Multiconference, SpringSim 2009, San Diego, California, USA, March 22-27, 2009, 2009, SCS/ACM. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
NWChem, QM/MM modeling, TAU, interoperability, common component architecture |
49 | Oreste Villa, Sriram Krishnamoorthy, Jarek Nieplocha, David M. Brown Jr. |
Scalable transparent checkpoint-restart of global address space applications on virtual machines over infiniband. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Conf. Computing Frontiers ![In: Proceedings of the 6th Conference on Computing Frontiers, 2009, Ischia, Italy, May 18-20, 2009, pp. 197-206, 2009, ACM, 978-1-60558-413-3. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
checkpoint-restart, virtual machines, infiniband, global address space |
49 | Manojkumar Krishnan, Yuri Alexeev, Theresa L. Windus, Jarek Nieplocha |
Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SC ![In: Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, November 12-18, 2005, Seattle, WA, USA, CD-Rom, pp. 23, 2005, IEEE Computer Society, 1-59593-061-2. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
31 | Rion Dooley, Kent F. Milfeld, Chona Guiang, Sudhakar Pamidighantam, Gabrielle Allen |
From Proposal to Production: Lessons Learned Developing the Computational Chemistry Grid Cyberinfrastructure. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Grid Comput. ![In: J. Grid Comput. 4(2), pp. 195-208, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
GridChem, CCG, MolPro, NWchem, GAMESS, Grid, Cyberinfrastructure, Chemistry, Gaussian |
30 | Guang Hao Low, Nicholas P. Bauman, Christopher E. Granade, Bo Peng, Nathan Wiebe, Eric J. Bylaska, Dave Wecker, Sriram Krishnamoorthy, Martin Roetteler, Karol Kowalski, Matthias Troyer, Nathan A. Baker |
Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1904.01131, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP BibTeX RDF |
|
30 | Heike Jagode, Anthony Danalis, Jack J. Dongarra |
Accelerating NWChem Coupled Cluster through dataflow-based execution. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. High Perform. Comput. Appl. ![In: Int. J. High Perform. Comput. Appl. 32(4), pp. 540-551, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
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30 | Teerapong Pirojsirikul, Andreas W. Götz, John H. Weare, Ross C. Walker, Karol Kowalski, Marat Valiev |
Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 38(18), pp. 1631-1639, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
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30 | Marcus D. Hanwell, Wibe A. de Jong, Christopher J. Harris 0004 |
Open Chemistry: RESTful Web APIs, JSON, NWChem and the Modern Web Application. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1707.04330, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP BibTeX RDF |
|
30 | Marcus D. Hanwell, Wibe A. de Jong, Christopher J. Harris 0004 |
Open chemistry: RESTful web APIs, JSON, NWChem and the modern web application. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 9(1), pp. 55:1-55:10, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
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30 | Eric J. Bylaska, Mathias Jacquelin, Wibe A. de Jong, Jeff R. Hammond, Michael Klemm |
Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISC Workshops ![In: High Performance Computing - ISC High Performance 2017 International Workshops, DRBSD, ExaComm, HCPM, HPC-IODC, IWOPH, IXPUG, P^3MA, VHPC, Visualization at Scale, WOPSSS, Frankfurt, Germany, June 18-22, 2017, Revised Selected Papers, pp. 404-418, 2017, Springer, 978-3-319-67629-6. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
30 | Vaibhav Sundriyal, Ellie Fought, Masha Sosonkina, Theresa L. Windus |
Evaluating effects of application based and automatic energy saving strategies on NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SpringSim (HPC) ![In: Proceedings of the 25th High Performance Computing Symposium, Virginia Beach, VA, USA, April 23 - 26, 2017, pp. 16:1-16:12, 2017, ACM, 978-1-5108-3822-2. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP BibTeX RDF |
|
30 | Vaibhav Sundriyal, Ellie Fought, Masha Sosonkina, Theresa L. Windus |
Power profiling and evaluating the effect of frequency scaling on NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SpringSim (HPS) ![In: Proceedings of the 24th High Performance Computing Symposium, Pasadena, HPC 2016, part of the 2016 Spring Simulation Multiconference, SpringSim '16, CA, USA, April 3-6, 2016, pp. 19, 2016, ACM, 978-1-5108-2318-1. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP BibTeX RDF |
|
30 | Min Si, Antonio J. Peña, Jeff R. Hammond, Pavan Balaji, Yutaka Ishikawa |
Scaling NWChem with Efficient and Portable Asynchronous Communication in MPI RMA. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CCGRID ![In: 15th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing, CCGrid 2015, Shenzhen, China, May 4-7, 2015, pp. 811-816, 2015, IEEE Computer Society, 978-1-4799-8006-2. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
30 | Heike Jagode, Anthony Danalis, George Bosilca, Jack J. Dongarra |
Accelerating NWChem Coupled Cluster Through Dataflow-Based Execution. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PPAM (1) ![In: Parallel Processing and Applied Mathematics - 11th International Conference, PPAM 2015, Krakow, Poland, September 6-9, 2015. Revised Selected Papers, Part I, pp. 366-376, 2015, Springer, 978-3-319-32148-6. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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30 | Hongzhang Shan, Samuel Williams 0001, Wibe de Jong, Leonid Oliker |
Thread-level parallelization and optimization of NWChem for the Intel MIC architecture. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PMAM@PPoPP ![In: Proceedings of the Sixth International Workshop on Programming Models and Applications for Multicores and Manycores, PMAM@PPoPP 2015, San Francisco, CA, USA, February 7-8, 2015, pp. 58-67, 2015, ACM, 978-1-4503-3404-4. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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30 | Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase |
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 185(3), pp. 1074-1080, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
30 | Wibe A. de Jong, Andrew M. Walker, Marcus D. Hanwell |
From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5, pp. 25, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
30 | Hongzhang Shan, Brian Austin, Wibe de Jong, Leonid Oliker, Nicholas J. Wright, Edoardo Aprà |
Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PMBS@SC ![In: High Performance Computing Systems. Performance Modeling, Benchmarking and Simulation - 4th International Workshop, PMBS 2013, Denver, CO, USA, November 18, 2013. Revised Selected Papers, pp. 261-280, 2013, Springer, 978-3-319-10213-9. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
30 | Priyanka Ghosh, Jeff R. Hammond, Sayan Ghosh, Barbara M. Chapman |
Performance Analysis of the NWChem TCE for Different Communication Patterns. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PMBS@SC ![In: High Performance Computing Systems. Performance Modeling, Benchmarking and Simulation - 4th International Workshop, PMBS 2013, Denver, CO, USA, November 18, 2013. Revised Selected Papers, pp. 281-294, 2013, Springer, 978-3-319-10213-9. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
30 | Jeff R. Hammond, Sriram Krishnamoorthy, Sameer Shende, Nichols A. Romero, Allen D. Malony |
Performance characterization of global address space applications: a case study with NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Concurr. Comput. Pract. Exp. ![In: Concurr. Comput. Pract. Exp. 24(2), pp. 135-154, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
30 | Niranjan Govind, Eric J. Bylaska, Wibe A. de Jong, Karol Kowalski, Tjerk P. Straatsma, Marat Valiev, Hubertus Johannes Jacobus Van Dam |
NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Encyclopedia of Parallel Computing ![In: Encyclopedia of Parallel Computing, pp. 1345-1353, 2011, Springer, 978-0-387-09765-7. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
30 | James Dinan, Pavan Balaji, Jeff R. Hammond, Sriram Krishnamoorthy, Vinod Tipparaju |
Poster: High-level, one-sided programming models on MPI: a case study with global arrays and NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SC Companion ![In: Conference on High Performance Computing Networking, Storage and Analysis - Companion Volume, SC 2011, Seattle, WA, USA, November 12-18, 2011, pp. 37-38, 2011, ACM, 978-1-4503-1030-7. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
30 | Marat Valiev, Eric J. Bylaska, Niranjan Govind, Karol Kowalski, Tjerk P. Straatsma, Hubertus Johannes Jacobus Van Dam, D. Wang, Jarek Nieplocha, Edoardo Aprà, Theresa L. Windus, Wibe A. de Jong |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 181(9), pp. 1477-1489, 2010. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
|
30 | Tjerk P. Straatsma, James Andrew McCammon |
Load balancing of molecular dynamics simulation with NWChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IBM Syst. J. ![In: IBM Syst. J. 40(2), pp. 328-341, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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30 | Martyn F. Guest, Edoardo Aprà, David E. Bernholdt, Herbert A. Früchtl, Robert J. Harrison, Ricky A. Kendall, R. A. Kutteh, X. Long, John B. Nicholas, Jeffrey A. Nichols, H. L. Taylor, Adrian T. Wong, George I. Fann, Richard J. Littlefield, Jarek Nieplocha |
High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Applications. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PARA ![In: Applied Parallel Computing, Computations in Physics, Chemistry and Engineering Science, Second International Workshop, PARA '95, Lyngby, Denmark, August 21-24, 1995, Proceedings, pp. 278-294, 1995, Springer, 3-540-60902-4. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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25 | Daniel Cociorva, Gerald Baumgartner, Chi-Chung Lam, P. Sadayappan, J. Ramanujam, Marcel Nooijen, David E. Bernholdt, Robert J. Harrison |
Space-Time Trade-Off Optimization for a Class of Electronic Structure Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLDI ![In: Proceedings of the 2002 ACM SIGPLAN Conference on Programming Language Design and Implementation (PLDI), Berlin, Germany, June 17-19, 2002, pp. 177-186, 2002, ACM, 1-58113-463-0. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
tile size selection, loop transformation, loop fusion |
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