-
1
-
-
84882411505
-
-
In; Springer-Verlag: Berlin
-
Izaguirre, J. A. and Skeel, R. D. In Computational Molecular Dynamics: Challenges, Methods, Ideas, Volume 4 of Lecture Notes in Computational Science & Engineering; Springer-Verlag: Berlin, 1998; pp 303-318.
-
(1998)
Computational Molecular Dynamics: Challenges, Methods, Ideas, Volume 4 of Lecture Notes in Computational Science & Engineering
, pp. 303-318
-
-
Izaguirre, J.A.1
Skeel, R.D.2
-
2
-
-
0346946971
-
-
Ma, Q.; Izaguirre, J. A.; Skeel, R. D. SIAM J. Sci. Comput. 2003, 24, 1951-1973
-
(2003)
SIAM J. Sci. Comput.
, vol.24
, pp. 1951-1973
-
-
Ma, Q.1
Izaguirre, J.A.2
Skeel, R.D.3
-
5
-
-
70449877805
-
Folding@home: Lessons from Eight Years of Volunteer Distributed Computing
-
In, Rome, Italy, May 25-29
-
Beberg, A. L.; Ensign, D. L.;; Jayachandran, G.;; Khaliq, S.;; Pande, V. S. Folding@home: Lessons From Eight Years of Volunteer Distributed Computing. In 2009 IEEE International Symposium on Parallel & Distributed Processing, Rome, Italy, May 25-29, 2009; pp 1-8.
-
(2009)
2009 IEEE International Symposium on Parallel & Distributed Processing
, pp. 1-8
-
-
Beberg, A.L.1
Ensign, D.L.2
Jayachandran, G.3
Khaliq, S.4
Pande, V.S.5
-
6
-
-
0034817509
-
-
Izaguirre, J. A.; Catarello, D. P.; Wozniak, J. M.; Skeel, R. D. J. Chem. Phys. 2001, 114, 2090
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2090
-
-
Izaguirre, J.A.1
Catarello, D.P.2
Wozniak, J.M.3
Skeel, R.D.4
-
7
-
-
42349111182
-
-
Sweet, C. R.; Petrone, P.; Pande, V. S.; Izaguirre, J. A. J. Chem. Phys. 2008, 128, 145101
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 145101
-
-
Sweet, C.R.1
Petrone, P.2
Pande, V.S.3
Izaguirre, J.A.4
-
8
-
-
84873024422
-
-
Izaguirre, J. A.; Sweet, C. R.; Pande, V. S. Pac. Symp. Biocomput. 2010, 15, 240-251
-
(2010)
Pac. Symp. Biocomput.
, vol.15
, pp. 240-251
-
-
Izaguirre, J.A.1
Sweet, C.R.2
Pande, V.S.3
-
10
-
-
70449783661
-
-
Shaw, D. E.; Chao, J. C.; Eastwood, M. P.; Gagliardo, J.; Grossman, J. P.; Ho, C. R.; Ierardi, D. J.; Kolossváry, I.; Klepeis, J. L.; Layman, T.; McLeavey, C.; Deneroff, M. M.; Moraes, M. a.; Mueller, R.; Priest, E. C. ACM SIGARCH Comp. Architecture News 2007, 35, 1
-
(2007)
ACM SIGARCH Comp. Architecture News
, vol.35
, pp. 1
-
-
Shaw, D.E.1
Chao, J.C.2
Eastwood, M.P.3
Gagliardo, J.4
Grossman, J.P.5
Ho, C.R.6
Ierardi, D.J.7
Kolossváry, I.8
Klepeis, J.L.9
Layman, T.10
McLeavey, C.11
Deneroff, M.M.12
Deneroff, M.M.13
Mueller, R.14
Priest, E.C.15
-
11
-
-
46249090563
-
-
Shaw, D.; Deneroff, M.; Dror, R.; Kuskin, J.; Larson, R.; Salmon, J.; Young, C.; Batson, B.; Bowers, K.; Chao, J. Commun. ACM 2008, 35, 91-97
-
(2008)
Commun. ACM
, vol.35
, pp. 91-97
-
-
Shaw, D.1
Deneroff, M.2
Dror, R.3
Kuskin, J.4
Larson, R.5
Salmon, J.6
Young, C.7
Batson, B.8
Bowers, K.9
Chao, J.10
-
12
-
-
74049112717
-
-
In International Conference for High Performance Computing Networking, Storage and Analysis; Portland, OR, Nov 14-20
-
Shaw, D.; Dror, R.; Salmon, J.; Grossman, J.; Mackenzie, K.; Bank, J.; Young, C.; Deneroff, M.; Batson, B.; Bowers, K.;, Millisecond-scale molecular dynamics simulations on Anton. In International Conference for High Performance Computing Networking, Storage and Analysis; Portland, OR, Nov 14-20, 2009.
-
(2009)
Millisecond-scale Molecular Dynamics Simulations on Anton
-
-
Shaw, D.1
Dror, R.2
Salmon, J.3
Grossman, J.4
MacKenzie, K.5
Bank, J.6
Young, C.7
Deneroff, M.8
Batson, B.9
Bowers, K.10
-
13
-
-
77957937199
-
-
Shaw, D. E.; Maragakis, P.; Lindorff-Larsen, K.; Piana, S.; Dror, R. O.; Eastwood, M. P.; Bank, J. a.; Jumper, J. M.; Salmon, J. K.; Shan, Y.; Wriggers, W. Science 2010, 330, 341-346
-
(2010)
Science
, vol.330
, pp. 341-346
-
-
Shaw, D.E.1
Maragakis, P.2
Lindorff-Larsen, K.3
Piana, S.4
Dror, R.O.5
Eastwood, M.P.6
Bank, J.A.7
Jumper, J.M.8
Salmon, J.K.9
Shan, Y.10
Wriggers, W.11
-
14
-
-
77956286977
-
-
Stone, J. E.; Hardy, D. J.; Ufimtsev, I. S.; Schulten, K. J. Mol. Graphics 2010, 29, 116-125
-
(2010)
J. Mol. Graphics
, vol.29
, pp. 116-125
-
-
Stone, J.E.1
Hardy, D.J.2
Ufimtsev, I.S.3
Schulten, K.4
-
15
-
-
35948963714
-
-
Stone, J. E.; Phillips, J. C.; Freddolino, P. L.; Hardy, D. J.; Trabuco, L. G.; Schulten, K. J. Comput. Chem. 2007, 18, 2618-40
-
(2007)
J. Comput. Chem.
, vol.18
, pp. 2618-2640
-
-
Stone, J.E.1
Phillips, J.C.2
Freddolino, P.L.3
Hardy, D.J.4
Trabuco, L.G.5
Schulten, K.6
-
16
-
-
70350754499
-
Adapting a Message-Driven Parallel Application to GPU-Accelerated Clusters
-
In, Austin, TX, Nov 15-21
-
Phillips, J. C.;; Stone, J. E.; Schulten, K. Adapting a Message-Driven Parallel Application to GPU-Accelerated Clusters. In International Conference for High Performance Computing, Networking, Storage, and Analysis, Austin, TX, Nov 15-21, 2008.
-
(2008)
International Conference for High Performance Computing, Networking, Storage, and Analysis
-
-
Phillips, J.C.1
Stone, J.E.2
Schulten, K.3
-
17
-
-
0037110472
-
-
Onufriey, A.; Bashford, D.; Case, D. A. J. Comput. Chem. 2002, 23, 1297-1304
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1297-1304
-
-
Onufriey, A.1
Bashford, D.2
Case, D.A.3
-
18
-
-
33846823909
-
-
Darden, T.; York, D.; Pederson, L. J. Chem. Phys. 1993, 98, 10089-10092
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pederson, L.3
-
19
-
-
84860767348
-
-
Gotz, A. W.; Williamson, M. J.; Xu, D.; Poole, D.; LeGrand, S.; Walker, R. C. J. Chem. Theory Comput. 2012, 8, 1542-1555
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 1542-1555
-
-
Gotz, A.W.1
Williamson, M.J.2
Xu, D.3
Poole, D.4
Legrand, S.5
Walker, R.C.6
-
20
-
-
67650099787
-
-
Harvey, M. J.; Giupponi, G.; Fabritiis, G. D. J. Chem. Theory Comput. 2009, 5, 1632-1639
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1632-1639
-
-
Harvey, M.J.1
Giupponi, G.2
Fabritiis, G.D.3
-
21
-
-
64649105762
-
-
Friedrichs, M.; Eastman, P.; Vaidyanathan, V.; Houston, M.; Legrand, S.; Beberg, A.; Ensign, D.; Bruns, C.; Pande, V. J. Comput. Chem. 2009, 30, 864-872
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 864-872
-
-
Friedrichs, M.1
Eastman, P.2
Vaidyanathan, V.3
Houston, M.4
Legrand, S.5
Beberg, A.6
Ensign, D.7
Bruns, C.8
Pande, V.9
-
24
-
-
0028454915
-
-
Durand, P.; Trinquier, G.; Sanejouand, Y. Biopolymers 1994, 34, 759-771
-
(1994)
Biopolymers
, vol.34
, pp. 759-771
-
-
Durand, P.1
Trinquier, G.2
Sanejouand, Y.3
-
25
-
-
0034308140
-
-
Tama, F.; Gadea, F. X.; Marques, O.; Sanejouand, Y. H. PROTEINS: Struc., Func., Genetics 2000, 41, 1-7
-
(2000)
PROTEINS: Struc., Func., Genetics
, vol.41
, pp. 1-7
-
-
Tama, F.1
Gadea, F.X.2
Marques, O.3
Sanejouand, Y.H.4
-
26
-
-
34250696543
-
-
Ghysels, A.; Van Neck, D.; Van Speybroeck, V.; Verstraelen, T.; Waroquier, M. J. Chem. Phys. 2007, 126, 224102
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 224102
-
-
Ghysels, A.1
Van Neck, D.2
Van Speybroeck, V.3
Verstraelen, T.4
Waroquier, M.5
-
27
-
-
36049039491
-
-
Ghysels, A.; Van Neck, D.; Waroquier, M. J. Chem. Phys. 2007, 127, 164108
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164108
-
-
Ghysels, A.1
Van Neck, D.2
Waroquier, M.3
-
28
-
-
61449148649
-
-
Ghysels, A.; Van Neck, D.; Brooks, B. R.; Van Speybroeck, V.; Waroquier, M. J. Chem. Phys. 2009, 130, 84107
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 84107
-
-
Ghysels, A.1
Van Neck, D.2
Brooks, B.R.3
Van Speybroeck, V.4
Waroquier, M.5
-
29
-
-
66749146094
-
-
Ghysels, A.; Van Speybroeck, V.; Pauwels, E.; Van Neck, D.; Brooks, B. R.; Waroquier, M. J. Chem. Theory Comput. 2009, 5, 1203-1215
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1203-1215
-
-
Ghysels, A.1
Van Speybroeck, V.2
Pauwels, E.3
Van Neck, D.4
Brooks, B.R.5
Waroquier, M.6
-
31
-
-
36149026546
-
-
Goldstone, J.; Salam, A.; Weinberg, S. Phys. Rev. 1962, 127, 965-970
-
(1962)
Phys. Rev.
, vol.127
, pp. 965-970
-
-
Goldstone, J.1
Salam, A.2
Weinberg, S.3
-
33
-
-
84882350921
-
-
Intel. (accessed Dec 1)
-
Intel. The Math Kernel Library. http://software.intel.com/en-us/articles/ intel-mkl/ (accessed Dec 1, 2012).
-
(2012)
The Math Kernel Library
-
-
-
37
-
-
8344261362
-
-
Matthey, T.; Cickovski, T.; Hampton, S.; Ko, A.; Ma, Q.; Nyerges, M.; Raeder, T.; Slabach, T.; Izaguirre, J. A. ACM Trans. Math. Soft. 2004, 30, 237-265
-
(2004)
ACM Trans. Math. Soft.
, vol.30
, pp. 237-265
-
-
Matthey, T.1
Cickovski, T.2
Hampton, S.3
Ko, A.4
Ma, Q.5
Nyerges, M.6
Raeder, T.7
Slabach, T.8
Izaguirre, J.A.9
|