Live Webcast 15th Annual Charm++ Workshop

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Klaus Schulten
Collaborators
schulten at illinois.edu
Profile
Research Areas
Papers
20-03
2020
[Paper]
Scalable molecular dynamics on CPU and GPU architectures with NAMD [J. Chem. Phys. 2020]
| James Phillips | David Hardy | Julio Maia | John Stone | João Ribeiro | Rafael Bernardi | Ronak Buch | Giacomo Fiorin | Jérôme Hénin | Wei Jiang | Ryan McGreevy | Marcelo Melo | Brian Radak | Robert Skeel | Abhishek Singharoy | Yi Wang | Benoît Roux | Aleksei Aksimentiev | Zaida Luthey-Schulten | Laxmikant Kale | Klaus Schulten | Christophe Chipot | Emad Tajkhorshid
13-43
2013
[Paper]
Parallel Science and Engineering Applications: The Charm++ Approach: Chapter 4: Scalable Molecular Dynamics with NAMD [Book 2013]
| James Phillips | Klaus Schulten | Abhinav Bhatele | Chao Mei | Yanhua Sun | Eric Bohm | Laxmikant Kale
07-05
2008
[Paper]
Biomolecular Modeling in the Era of Petascale Computing [Petascale Computing: Algorithms and Applications 2008]
| Klaus Schulten | James Phillips | Laxmikant Kale | Abhinav Bhatele
05-24
2005
[Paper]
Biomolecular Modeling using Parallel Supercomputers [Handbook of Computational Molecular Biology 2005]
| Laxmikant Kale | Klaus Schulten | Robert Skeel | Glenn Martyna | Mark Tuckerman | James Phillips | Sameer Kumar | Gengbin Zheng
05-23
2005
[Paper]
Scalable Molecular Dynamics with NAMD [Journal of Computational Chemistry 2005]
| James Phillips | Rosemary Braun | Wei Wang | James Gumbart | Emad Tajkhorshid | Elizabeth Villa | Christophe Chipot | Robert Skeel | Laxmikant Kale | Klaus Schulten
99-07
1999
[Paper]
BioCoRE: A Collaboratory for Structural Biology [SCS International Conference on Web-Based Modeling and Simulation 1999]
| Milind Bhandarkar | Gila Budescu | William Humphrey | Jesus Izaguirre | Sergei Izrailev | Laxmikant Kale | Dorina Kosztin | Ferenc Molnar | James Phillips | Klaus Schulten
[BIB] [PS] [PDF]
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98-10
1999
[Paper]
Algorithmic Challenges in Computational Molecular Biophysics [Journal of Computational Physics 1999]
| Tamar Schlick | Robert Skeel | Axel Brunger | Laxmikant Kale | John Board Jr. | Jan Hermans | Klaus Schulten
98-06
1998
[Paper]
Computational Molecular Biophysics Today: A Confluence of Methodological Advances and Complex Biomolecular Applications [Journal of Computational Physics 1998]
| Tamar Schlick | Robert Skeel | Axel Brunger | Klaus Schulten | Laxmikant Kale | Jan Hermans | John Board Jr.
98-05
1998
[Paper]
Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code [LNCS 1998]
| James Phillips | Robert Brunner | Aritomo Shinozaki | Milind Bhandarkar | Neal Krawetz | Laxmikant Kale | Robert Skeel | Klaus Schulten
[BIB] [PS] [PDF]
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98-03
1998
[Paper]
NAMD2: Greater Scalability for Parallel Molecular Dynamics [Journal of Computational Physics 1998]
| Laxmikant Kale | Robert Skeel | Milind Bhandarkar | Robert Brunner | Attila Gursoy | Neal Krawetz | James Phillips | Aritomo Shinozaki | Krishnan Varadarajan | Klaus Schulten
[BIB] [PS] [PDF]
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96-04
1996
[Paper]
NAMD - a Parallel, Object-Oriented Molecular Dynamics Program [International Journal Supercomputing Applications and High Performance Computing 1996]
| M. Nelson | William Humphrey | Attila Gursoy | A. Dalke | Laxmikant Kale | Robert Skeel | Klaus Schulten
95-01
1995
[Paper]
MDScope - A visual Computing Environment for Structural Biology [Computer Physics Communications 1995]
| M. Nelson | Attila Gursoy | A. Dalke | Laxmikant Kale | Robert Skeel | Klaus Schulten | R. Kuffrin
94-02
1994
[Paper]
Modeling Biomolecules: Larger Scales, Longer Durations [IEEECSE 1994]
| John Board Jr. | Laxmikant Kale | Klaus Schulten | Robert Skeel | Tamar Schlick
Talks/Posters
12-55
2012
[Talk]
Fernbach Acceptance - NAMD [SC 2012]
| Laxmikant Kale | Klaus Schulten
10-49
2010
[Talk]
Exascale packages for atomistic simulations from nanoscience to drug design [JLPC 2010]
| Jean-Francois Mehaut | Laxmikant Kale | Chris Harrison | Klaus Schulten