-
1
-
-
70350582694
-
-
http://www.mpi-forum.org/
-
-
-
-
2
-
-
33645983963
-
-
Nieplocha J., Palmer B., Tipparaju V., Krishnan M., Trease H., and Aprà E. International Journal of High Performance Computing Applications 20 (2006) 203
-
(2006)
International Journal of High Performance Computing Applications
, vol.20
, pp. 203
-
-
Nieplocha, J.1
Palmer, B.2
Tipparaju, V.3
Krishnan, M.4
Trease, H.5
Aprà, E.6
-
4
-
-
70350596138
-
-
http://www.emsl.pnl.gov/docs/global/
-
-
-
-
5
-
-
0034625269
-
-
Kendall R.A., Aprà E., Bernholdt D.E., Bylaska E.J., Dupuis M., Fann G.I., Harrison R.J., Ju J., Nichols J.A., Nieplocha J., Straatsma T.P., Windus T.L., and Wong A.T. Comp. Phys. Comm. 128 (2000) 260
-
(2000)
Comp. Phys. Comm.
, vol.128
, pp. 260
-
-
Kendall, R.A.1
Aprà, E.2
Bernholdt, D.E.3
Bylaska, E.J.4
Dupuis, M.5
Fann, G.I.6
Harrison, R.J.7
Ju, J.8
Nichols, J.A.9
Nieplocha, J.10
Straatsma, T.P.11
Windus, T.L.12
Wong, A.T.13
-
7
-
-
33746563448
-
-
Shao Y., Molnar L.F., Jung Y., Kussmann J., Ochsenfeld C., Brown S.T., Gilbert A.T., Slipchenko L.V., Levchenko S.V., O'Neill D.P., Jr R.A.D., Lochan R.C., Wang T., Beran G.J., Besley N.A., Herbert J.M., Lin C.Y., Voorhis T.V., Chien S.H., Sodt A., Steele R.P., Rassolov V.A., Maslen P.E., Korambath P.P., Adamson R.D., Austin B., Baker J., Byrd E.F.C., Dachsel H., Doerksen R.J., Dreuw A., Dunietz B.D., Dutoi A.D., Furlani T.R., Gwaltney S.R., Heyden A., Hirata S., Hsu C.-P., Kedziora G., Khalliulin R.Z., Klunzinger P., Lee A.M., Lee M.S., Liang W., Lotan I., Nair N., Peters B., Proynov E.I., Pieniazek P.A., Rhee Y.M., Ritchie J., Rosta E., Sherrill C.D., Simmonett A.C., Subotnik J.E., Iii H.L.W., Zhang W., Bell A.T., Chakraborty A.K., Chipman D.M., Keil F.J., Warshel A., Hehre W.J., Iii H.F.S., Kong J., Krylov A.I., Gill P.M.W., and Head-Gordon M. Phys. Chem. Chem. Phys. 8 (2006) 3172
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
Jr, R.A.D.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.14
Besley, N.A.15
Herbert, J.M.16
Lin, C.Y.17
Voorhis, T.V.18
Chien, S.H.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Rhee, Y.M.50
Ritchie, J.51
Rosta, E.52
Sherrill, C.D.53
Simmonett, A.C.54
Subotnik, J.E.55
Iii, H.L.W.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
Chipman, D.M.60
Keil, F.J.61
Warshel, A.62
Hehre, W.J.63
Iii, H.F.S.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
8
-
-
0141991885
-
-
Karlström G., Lindh R., Malmqvist P., Roos B.O., Ryde U., Veryazov V., Widmark P., Cossi M., Schimmelpfennig B., Neogrady P., and Seijo L. Computational Materials Science 28 (2003) 222
-
(2003)
Computational Materials Science
, vol.28
, pp. 222
-
-
Karlström, G.1
Lindh, R.2
Malmqvist, P.3
Roos, B.O.4
Ryde, U.5
Veryazov, V.6
Widmark, P.7
Cossi, M.8
Schimmelpfennig, B.9
Neogrady, P.10
Seijo, L.11
-
10
-
-
70350584733
-
-
Molpro, version 2008.2, a package of ab initio programs, 2008, see
-
Werner H.-J., Knowles P.J., Lindh R., Manby F.R., Schütz M., Celani P., Korona T., Mitrushenkov A., Rauhut G., Adler T.B., Amos R.D., Bernhardsson A., Berning A., Cooper D.L., Deegan M.J.O., Dobbyn A.J., Eckert F., Goll E., Hampel C., Hetzer G., Hrenar T., Knizia G., Köppl C., Liu Y., Lloyd A.W., Mata R.A., May A.J., McNicholas S.J., Meyer W., Mura M.E., Nicklass A., Palmieri P., Pflüger K., Pitzer R., Reiher M., Schumann U., Stoll H., Stone A.J., Tarroni R., Thorsteinsson T., Wang M., and Wolf A. Molpro, version 2008.2, a package of ab initio programs, 2008, see. http://www.molpro.net
-
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
Manby, F.R.4
Schütz, M.5
Celani, P.6
Korona, T.7
Mitrushenkov, A.8
Rauhut, G.9
Adler, T.B.10
Amos, R.D.11
Bernhardsson, A.12
Berning, A.13
Cooper, D.L.14
Deegan, M.J.O.15
Dobbyn, A.J.16
Eckert, F.17
Goll, E.18
Hampel, C.19
Hetzer, G.20
Hrenar, T.21
Knizia, G.22
Köppl, C.23
Liu, Y.24
Lloyd, A.W.25
Mata, R.A.26
May, A.J.27
McNicholas, S.J.28
Meyer, W.29
Mura, M.E.30
Nicklass, A.31
Palmieri, P.32
Pflüger, K.33
Pitzer, R.34
Reiher, M.35
Schumann, U.36
Stoll, H.37
Stone, A.J.38
Tarroni, R.39
Thorsteinsson, T.40
Wang, M.41
Wolf, A.42
more..
-
12
-
-
70350613134
-
-
http://www.doxygen.org
-
-
-
-
13
-
-
70350610563
-
-
http://www.top500.org/system/9294
-
-
-
-
14
-
-
70350588908
-
Is MPI-2 suitable for quantum chemistry? Performance of passive target one-sided communications
-
Technical report, STFC Daresbury Laboratory
-
H.J.J. van Dam, M. Wang, A.G. Sunderland, I.J. Bush, P.J. Knowles, M.F. Guest, Is MPI-2 suitable for quantum chemistry? Performance of passive target one-sided communications, Technical report, STFC Daresbury Laboratory, 2008
-
(2008)
-
-
van Dam, H.J.J.1
Wang, M.2
Sunderland, A.G.3
Bush, I.J.4
Knowles, P.J.5
Guest, M.F.6
-
15
-
-
70350590976
-
-
http://www.mcs.anl.gov/research/projects/mpich2
-
-
-
-
16
-
-
70350605394
-
-
Private communication
-
R. Thakur, Private communication
-
-
-
Thakur, R.1
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