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The Journal of chemical physics, 2012-09, Vol.137 (11), p.114104-114104
2012
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High Performance Computing Systems. Performance Modeling, Benchmarking, and Simulation, p.197-217
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SN computer science, 2024-06, Vol.5 (5), p.462, Article 462
2024
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Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin
2008
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Inorganic chemistry, 1998-04, Vol.37 (7), p.1519-1526
1998
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Molecular physics, 2010-10, Vol.108 (19-20), p.2791-2800
2010
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Concurrency and computation, 2015-12, Vol.27 (17), p.5238-5260
2015
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Concurrency and computation, 2013-05, Vol.25 (7), p.918-931
2013
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The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-03, Vol.116 (8), p.1877-1883
2012
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Chemical physics letters, 2011-06, Vol.509 (4-6), p.102-107
2011
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Concurrency and computation, 2014-09, Vol.26 (13), p.2191-2209
- Browne, James C.
- DeLeon, Robert L.
- Patra, Abani K.
- Barth, William L.
- Hammond, John
- Jones, Matthew D.
- Furlani, Thomas R.
- Schneider, Barry I.
- Gallo, Steven M.
- Ghadersohi, Amin
- Gentner, Ryan J.
- Palmer, Jeffrey T.
- Simakov, Nikolay
- Innus, Martins
- Bruno, Andrew E.
- White, Joseph P.
- Cornelius, Cynthia D.
- Yearke, Thomas
- Marcus, Kyle
- von Laszewski, Gregor
- Wang, Fugang
2014
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2015 IEEE International Conference on Cluster Computing, 2015, p.642-649
2015
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The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-06, Vol.104 (22), p.5197-5203
2000
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2015 IEEE International Conference on Cluster Computing, 2015, p.531-532
2015
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The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (11), p.2268-2274
2009
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Journal of organic chemistry, 1996-08, Vol.61 (16), p.5492-5497
1996
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Journal of computational chemistry, 2005-09, Vol.26 (12), p.1270-1278
2005
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Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (27), p.3172-3191
- Shao, Yihan
- Molnar, Laszlo Fusti
- Jung, Yousung
- Kussmann, Jörg
- Ochsenfeld, Christian
- Brown, Shawn T
- Gilbert, Andrew T B
- Slipchenko, Lyudmila V
- Levchenko, Sergey V
- O'Neill, Darragh P
- DiStasio, Jr, Robert A
- Lochan, Rohini C
- Wang, Tao
- Beran, Gregory J O
- Besley, Nicholas A
- Herbert, John M
- Lin, Ching Yeh
- Van Voorhis, Troy
- Chien, Siu Hung
- Sodt, Alex
- Steele, Ryan P
- Rassolov, Vitaly A
- Maslen, Paul E
- Korambath, Prakashan P
- Adamson, Ross D
- Austin, Brian
- Baker, Jon
- Byrd, Edward F C
- Dachsel, Holger
- Doerksen, Robert J
- Dreuw, Andreas
- Dunietz, Barry D
- Dutoi, Anthony D
- Furlani, Thomas R
- Gwaltney, Steven R
- Heyden, Andreas
- Hirata, So
- Hsu, Chao-Ping
- Kedziora, Gary
- Khalliulin, Rustam Z
- Klunzinger, Phil
- Lee, Aaron M
- Lee, Michael S
- Liang, Wanzhen
- Lotan, Itay
- Nair, Nikhil
- Peters, Baron
- Proynov, Emil I
- Pieniazek, Piotr A
- Rhee, Young Min
- Ritchie, Jim
- Rosta, Edina
- Sherrill, C David
- Simmonett, Andrew C
- Subotnik, Joseph E
- Woodcock, 3rd, H Lee
- Zhang, Weimin
- Bell, Alexis T
- Chakraborty, Arup K
- Chipman, Daniel M
- Keil, Frerich J
- Warshel, Arieh
- Hehre, Warren J
- Schaefer, 3rd, Henry F
- Kong, Jing
- Krylov, Anna I
- Gill, Peter M W
- Head-Gordon, Martin
2006
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Practice and Experience in Advanced Research Computing 2020: Catch the Wave, 2020, p.112-119
2020
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Computer physics communications, 2000-06, Vol.128 (1-2), p.170-177
2000
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Journal of the American Chemical Society, 1987-09, Vol.109 (18), p.5323-5329
1987
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Future generation computer systems, 2019-09, Vol.98, p.154-166
2019
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Physical chemistry chemical physics : PCCP, 2003-01, Vol.5 (22), p.5063-5069
2003
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2014 First International Workshop on HPC User Support Tools, 2014, p.13-21
2014
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Journal of computational chemistry, 1995-01, Vol.16 (1), p.91-104
1995
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