SCOPUS 정보 검색 플랫폼

Volumn 128, Issue 1, 2000, Pages 333-376

Exploiting multiple levels of parallelism in molecular dynamics based calculations via modern techniques and software paradigms on distributed memory computers

(5) Tuckerman, Mark E a Yarne, D A b Samuelson, Shane O c Hughes, Adam L c Martyna, Glenn J c

a NEW YORK UNIVERSITY (United States)

b UNIVERSITY OF PENNSYLVANIA (United States)

c INDIANA UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTER SOFTWARE; DISTRIBUTED COMPUTER SYSTEMS; ELECTRONIC STRUCTURE; INTEGRAL EQUATIONS; LARGE SCALE SYSTEMS; OBJECT ORIENTED PROGRAMMING; PARALLEL ALGORITHMS; PARALLEL PROCESSING SYSTEMS; QUANTUM THEORY;

CANONICAL ENSEMBLE; DISTRIBUTED MEMORY COMPUTER; ISOTHERMAL ISOBARIC ENSEMBLE; PATH INTEGRAL METHOD;

MOLECULAR DYNAMICS;

EID: 0034625286 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(00)00077-1 Document Type: Article

Times cited : (197)

References (101)

1
- 0003451443
- Claredon Press, Oxford
- M.P. Allen, D.J. Tildesley, Computer Simulations of Liquids (Claredon Press, Oxford, 1989).
- (1989) Computer Simulations of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

2
- 0003525155
- John Wiley and Sons, NY
- C.L. Brooks III, M. Karplus, B.M. Pettitt, Proteins: A Theoretical Perspective (John Wiley and Sons, NY, 1988).
- (1988) Proteins: A Theoretical Perspective
- Brooks C.L. III¹ Karplus, M.² Pettitt, B.M.³

3
- 4243606192
- R. Car, M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471-2474.
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471-2474
- Car, R.¹ Parrinello, M.²

4
- 0001633788
- B.J. Berne, D. Thirumalai, Ann. Rev. Phys. 37 (1986) 401.
- (1986) Ann. Rev. Phys. , vol.37 , pp. 401
- Berne, B.J.¹ Thirumalai, D.²

5
- 0000173007
- M.E. Tuckerman, G.J. Martyna, B.J. Berne, J. Chem. Phys. 93 (1990) 1287.
- (1990) J. Chem. Phys. , vol.93 , pp. 1287
- Tuckerman, M.E.¹ Martyna, G.J.² Berne, B.J.³

6
- 36449009053
- M.E. Tuckerman, B.J. Berne, A. Rossi, J. Chem. Phys. 94 (1991) 1465.
- (1991) J. Chem. Phys. , vol.94 , pp. 1465
- Tuckerman, M.E.¹ Berne, B.J.² Rossi, A.³

7
- 36449001478
- M.E. Tuckerman, G.J. Martyna, B.J. Berne, J. Chem. Phys. 94 (1991) 6811.
- (1991) J. Chem. Phys. , vol.94 , pp. 6811
- Tuckerman, M.E.¹ Martyna, G.J.² Berne, B.J.³

8
- 0000123326
- H. Grubmueller, A. Windemuth, K. Schulten, Molec. Sim. 6 (1991) 121.
- (1991) Molec. Sim. , vol.6 , pp. 121
- Grubmueller, H.¹ Windemuth, A.² Schulten, K.³

9
- 33646650705
- M. Tuckerman, G.J. Martyna, B.J. Berne, J. Chem. Phys. 97 (1992) 1990.
- (1992) J. Chem. Phys. , vol.97 , pp. 1990
- Tuckerman, M.¹ Martyna, G.J.² Berne, B.J.³

10
- 0000026966
- G.J. Martyna, M.E. Tuckerman, D.J. Tobias, M.L. Klein, Mol. Phys. 87 (1996) 1117.
- (1996) Mol. Phys. , vol.87 , pp. 1117
- Martyna, G.J.¹ Tuckerman, M.E.² Tobias, D.J.³ Klein, M.L.⁴

11
- 0000921742
- J.A. Izaguirre, S. Reich, R.D. Skeel, J. Chem. Phys. 110 (1999) 9853.
- (1999) J. Chem. Phys. , vol.110 , pp. 9853
- Izaguirre, J.A.¹ Reich, S.² Skeel, R.D.³

12
- 36448999094
- M.E. Tuckerman, B.J. Berne, G.J. Martyna, M.L. Klein, J. Chem. Phys. 99 (1993) 2796.
- (1993) J. Chem. Phys. , vol.99 , pp. 2796
- Tuckerman, M.E.¹ Berne, B.J.² Martyna, G.J.³ Klein, M.L.⁴

13
- 0007040865
- submitted
- K.A. Pihakari, S.O. Samuelson, G.J. Martyna, PNAS (1999), submitted.
- (1999) PNAS
- Pihakari, K.A.¹ Samuelson, S.O.² Martyna, G.J.³

14
- 0001538909
- W.G. Hoover, Phys. Rev. A 31 (1985) 1695.
- (1985) Phys. Rev. A , vol.31 , pp. 1695
- Hoover, W.G.¹

15
- 0000251219
- M.E. Tuckerman, M. Parrinello, J. Chem. Phys. 101 (1994) 1302.
- (1994) J. Chem. Phys. , vol.101 , pp. 1302
- Tuckerman, M.E.¹ Parrinello, M.²

16
- 0007036955
- S.L. Lin, B.M. Pettit, G.N. Phillips, J. Comput. Phys. 13 (1992) 1022.
- (1992) J. Chem. Phys. , vol.13 , pp. 1022
- Lin, S.L.¹ Pettit, B.M.² Phillips, G.N.³ Phys, J.C.⁴

17
- 0008495546
- S.E. Debolt, P.A. Kollman, J. Comput. Phys. 14 (1993) 312.
- (1993) J. Comput. Phys. , vol.14 , pp. 312
- Debolt, S.E.¹ Kollman, P.A.²

18
- 0007131559
- F. an Hoesel, K.F. Meacham, D.G. Green, Lecture Notes in Comput. Sci. 919 (1995) 875.
- (1995) Lecture Notes in Comput. Sci. , vol.919 , pp. 875
- An Hoesel, F.¹ Meacham, K.F.² Green, D.G.³

19
- 0007131534
- P. Bala, T. Clark, P. Grochowski, B. Lesyng, J.A. McCammon, Lecture Notes in Comput. Sci. 1332 (1997) 409.
- (1997) Lecture Notes in Comput. Sci. , vol.1332 , pp. 409
- Bala, P.¹ Clark, T.² Grochowski, P.³ Lesyng, B.⁴ McCammon, J.A.⁵

20
- 0000019476
- M. Toneya, T. Ouchi, Molec. Sim. 15 (1995) 273.
- (1995) Molec. Sim. , vol.15 , pp. 273
- Toneya, M.¹ Ouchi, T.²

21
- 8344276781
- M.T. Nelson, W. Humphrey, A. Gursoy, A. Dalke, L.V. Kale, R.D. Skeel, K. Schulten, Int. J. Supercomput. Appl. 10 (1996) 251.
- (1996) Int. J. Supercomput. Appl. , vol.10 , pp. 251
- Nelson, M.T.¹ Humphrey, W.² Gursoy, A.³ Dalke, A.⁴ Kale, L.V.⁵ Skeel, R.D.⁶ Schulten, K.⁷

22
- 0007128908
- G.A. Huber, J.A. McCammon, J. Comput. Phys. 151 (1999) 264.
- (1999) J. Comput. Phys. , vol.151 , pp. 264
- Huber, G.A.¹ McCammon, J.A.²

23
- 36749107785
- H.C. Andersen, J. Chem. Phys. 72 (1980) 2384.
- (1980) J. Chem. Phys. , vol.72 , pp. 2384
- Andersen, H.C.¹

24
- 84926811618
- S. Nosé, M.L. Klein, Mol. Phys. 50 (1983) 1055.
- (1983) Mol. Phys. , vol.50 , pp. 1055
- Nosé, S.¹ Klein, M.L.²

25
- 34547809547
- S. Nosé, J. Chem. Phys. 81 (1984) 511.
- (1984) J. Chem. Phys. , vol.81 , pp. 511
- Nosé, S.¹

26
- 0033554903
- M.E. Tuckerman, CJ. Mundy, GJ. Martyna, Europhys. Lett. 45 (1999) 149.
- (1999) Europhys. Lett. , vol.45 , pp. 149
- Tuckerman, M.E.¹ Mundy, C.J.² Martyna, G.J.³

27
- 85031563512
- to be submitted
- Y. Liu, M.E. Tuckerman, G.J. Martyna, G. Ciccotti, Mol. Phys., to be submitted.
- Mol. Phys.
- Liu, Y.¹ Tuckerman, M.E.² Martyna, G.J.³ Ciccotti, G.⁴

28
- 36449000062
- M.E. Tuckerman, G.J. Martyna, M.L. Klein, J. Chem. Phys. 97 (1992) 2635.
- (1992) J. Chem. Phys. , vol.97 , pp. 2635
- Tuckerman, M.E.¹ Martyna, G.J.² Klein, M.L.³

29
- 85031576971
- in prep
- M.E. Tuckerman, G.J. Martyna, G. Ciccotti (in prep.).
- Tuckerman, M.E.¹ Martyna, G.J.² Ciccotti, G.³

30
- 36449003554
- G.J. Martyna, D.J. Tobias, M.L. Klein, J. Chem. Phys. 101 (1994) 4177.
- (1994) J. Chem. Phys. , vol.101 , pp. 4177
- Martyna, G.J.¹ Tobias, D.J.² Klein, M.L.³

31
- 0003437218
- Addison-Wesley, Reading, MA
- H. Goldstein, Classical Mechanics, 2nd Edn (Addison-Wesley, Reading, MA, 1980).
- (1980) Classical Mechanics, 2nd Edn
- Goldstein, H.¹

32
- 48749148224
- H.C. Andersen, J. Comput. Phys. 52 (1983) 24.
- (1983) J. Comput. Phys. , vol.52 , pp. 24
- Andersen, H.C.¹

33
- 0000240098
- M. Watanabe, M. Karplus, J. Chem. Phys. 99 (1993) 18 063.
- (1993) J. Chem. Phys. , vol.99 , pp. 18063
- Watanabe, M.¹ Karplus, M.²

34
- 24844474730
- P. Procacci, T. Darden, M. Marchi, J. Phys. Chem. 100 (1996) 10 464.
- (1996) J. Phys. Chem. , vol.100 , pp. 10464
- Procacci, P.¹ Darden, T.² Marchi, M.³

35
- 33645707577
- T.I. Mizan, P.E. Savage, R.M. Ziff, J. Phys. Chem. 98 (1994) 13 067.
- (1994) J. Phys. Chem. , vol.98 , pp. 13067
- Mizan, T.I.¹ Savage, P.E.² Ziff, R.M.³

36
- 0001390171
- S.T. Cui, P.T. Cummings, H.D. Cochran, J. Chem. Phys. 104 (1996) 255.
- (1996) J. Chem. Phys. , vol.104 , pp. 255
- Cui, S.T.¹ Cummings, P.T.² Cochran, H.D.³

37
- 0001489848
- Y. Komeiji, M. Uebayasi, R. Takata, A. Shimizu, K. Itsukashi, M. Taiji, J. Comput. Chem. 18 (1997) 1546.
- (1997) J. Comput. Chem. , vol.18 , pp. 1546
- Komeiji, Y.¹ Uebayasi, M.² Takata, R.³ Shimizu, A.⁴ Itsukashi, K.⁵ Taiji, M.⁶

38
- 0007148604
- T. Schlick, M. Mandzuik, Chem. Phys. Lett. 237 (1995) 525.
- (1995) Chem. Phys. Lett. , vol.237 , pp. 525
- Schlick, T.¹ Mandzuik, M.²

39
- 0001310692
- T. Schlick, M. Mandzuik, R.D. Skeel, K. Srinivas, J. Comput. Phys. 140 (1998) 1.
- (1998) J. Comput. Phys. , vol.140 , pp. 1
- Schlick, T.¹ Mandzuik, M.² Skeel, R.D.³ Srinivas, K.⁴

40
- 0000574422
- M.E. Tuckerman, G.J. Martyna, J. Chem. Phys. 110 (1999) 3623.
- (1999) J. Chem. Phys. , vol.110 , pp. 3623
- Tuckerman, M.E.¹ Martyna, G.J.²

41
- 0003575440
- Benjamin, Reading, MA
- R.P. Feynman, Statistical Mechanics (Benjamin, Reading, MA, 1972).
- (1972) Statistical Mechanics
- Feynman, R.P.¹

42
- 33748578711
- M. Parrinello, A. Rahman, J. Chem. Phys. 80 (1984) 860.
- (1984) J. Chem. Phys. , vol.80 , pp. 860
- Parrinello, M.¹ Rahman, A.²

43
- 0001444785
- G.J. Martyna, J. Cao, J. Chem. Phys. 104 (1996) 2028.
- (1996) J. Chem. Phys. , vol.104 , pp. 2028
- Martyna, G.J.¹ Cao, J.²

44
- 36449000739
- J. Cao, G.A. Voth, J. Chem. Phys. 99 (1993) 10 070.
- (1993) J. Chem. Phys. , vol.99 , pp. 10070
- Cao, J.¹ Voth, G.A.²

45
- 36449006832
- J. Cao, G.A. Voth, J. Chem. Phys. 100 (1994) 5106.
- (1994) J. Chem. Phys. , vol.100 , pp. 5106
- Cao, J.¹ Voth, G.A.²

46
- 33645931176
- D. Chandler, P.G. Wolynes, J. Chem. Phys. 74 (1981) 4078.
- (1981) J. Chem. Phys. , vol.74 , pp. 4078
- Chandler, D.¹ Wolynes, P.G.²

47
- 36549101261
- R.W. Hall, B.J. Berne, J. Chem. Phys. 81 (1984) 3641.
- (1984) J. Chem. Phys. , vol.81 , pp. 3641
- Hall, R.W.¹ Berne, B.J.²

48
- 0000671855
- M.E. Tuckerman, D. Marx, M.L. Klein, M. Parrinello, J. Chem. Phys. 104 (1996) 5579.
- (1996) J. Chem. Phys. , vol.104 , pp. 5579
- Tuckerman, M.E.¹ Marx, D.² Klein, M.L.³ Parrinello, M.⁴

49
- 0000394907
- M.E. Tuckerman, A.L. Hughes, G.J. Martyna, J. Chem. Phys. 110 (1999) 3275.
- (1999) J. Chem. Phys. , vol.110 , pp. 3275
- Tuckerman, M.E.¹ Hughes, A.L.² Martyna, G.J.³

50
- 36749119321
- M.F. Herman, E.J. Bruskin, B.J. Berne, J. Chem. Phys. 76 (1982) 5150.
- (1982) J. Chem. Phys. , vol.76 , pp. 5150
- Herman, M.F.¹ Bruskin, E.J.² Berne, B.J.³

51
- 36449004130
- J. Cao, B.J. Berne, J. Chem. Phys. 99 (1993) 2902.
- (1993) J. Chem. Phys. , vol.99 , pp. 2902
- Cao, J.¹ Berne, B.J.²

52
- 0000121529
- C. Chakravarty, M.C. Gordillo, D.M. Ceperley, J. Chem. Phys. 109 (1998) 2123.
- (1998) J. Chem. Phys. , vol.109 , pp. 2123
- Chakravarty, C.¹ Gordillo, M.C.² Ceperley, D.M.³

53
- 0007079334
- J.P. Ryckaert, G. Ciccotti, J. Chem. Phys. 78 (1983) 2384.
- (1983) J. Chem. Phys. , vol.78 , pp. 2384
- Ryckaert, J.P.¹ Ciccotti, G.²

54
- 0002467378
- S. Plimpton, J. Comput. Phys. 117 (1995) 1.
- (1995) J. Comput. Phys. , vol.117 , pp. 1
- Plimpton, S.¹

55
- 0007128911
- J.L. Banks, G.A. Kaminski, R.H. Zhou, D.T. Mainz, B.J. Berne, R.A. Friesner, J. Chem. Phys. 110 (1999) 1999.
- (1999) J. Chem. Phys. , vol.110 , pp. 1999
- Banks, J.L.¹ Kaminski, G.A.² Zhou, R.H.³ Mainz, D.T.⁴ Berne, B.J.⁵ Friesner, R.A.⁶

56
- 10644250257
- P. Hohenberg, W. Kohn, Phys. Rev. B 136 (1964) 864.
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

57
- 0042113153
- W. Kohn, L.J. Sham, Phys. Rev. A 140 (1965) 1133.
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

58
- 0003569570
- Oxford University Pres, New York
- R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Pres, New York, 1988).
- (1988) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

59
- 4243553426
- A.D. Becke, Phys. Rev. A 38 (1988) 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

60
- 0345491105
- C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

61
- 33645898818
- J.P. Perdew, Y. Wang, Phys. Rev. B 45 (1991) 13 244.
- (1991) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

62
- 4243943295
- J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

63
- 0000488238
- E.I. Proynov, D.R. Salahub, Phys. Rev. B 249 (1994) 7874.
- (1994) Phys. Rev. B , vol.249 , pp. 7874
- Proynov, E.I.¹ Salahub, D.R.²

64
- 0000375731
- E.I. Proynov, D.R. Salahub, Chem. Phys. Lett. 230 (1994) 419.
- (1994) Chem. Phys. Lett. , vol.230 , pp. 419
- Proynov, E.I.¹ Salahub, D.R.²

65
- 0009485123
- G.J. Martyna, M.E. Tuckerman, J. Chem. Phys. 110 (1999) 2810.
- (1999) J. Chem. Phys. , vol.110 , pp. 2810
- Martyna, G.J.¹ Tuckerman, M.E.²

66
- 85031573836
- to be submitted
- G.J. Martyna, K.A. Pihakari, M.E. Tuckerman, J. Chem. Phys. (1999) to be submitted.
- (1999) J. Chem. Phys.
- Martyna, G.J.¹ Pihakari, K.A.² Tuckerman, M.E.³

67
- 3743048569
- G. Bachelet, D. Hamann, M. Schluter, Phys. Rev. B 26 (1982) 4199.
- (1982) Phys. Rev. B , vol.26 , pp. 4199
- Bachelet, G.¹ Hamann, D.² Schluter, M.³

68
- 33645426115
- N. Troullier, J.L. Martins, Phys. Rev. B 43 (1991) 1993.
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

69
- 0001161603
- L. Kleinman, D.M. Bylander, Phys. Rev. Lett. 48 (1982) 1425.
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleinman, L.¹ Bylander, D.M.²

70
- 84957315899
- P. Focher, G.L. Chiarotti, M. Bernasconi, E. Tosatti, M. Parrinello, Europhys. Lett. 26 (1994) 345.
- (1994) Europhys. Lett. , vol.26 , pp. 345
- Focher, P.¹ Chiarotti, G.L.² Bernasconi, M.³ Tosatti, E.⁴ Parrinello, M.⁵

71
- 0000539314
- M. Bernasconi, G.L. Chiarotti, P. Focher, S. Scandolo, E. Tosatti, M. Parrinello, J. Phys. Chem. Solids 56 (1995) 501.
- (1995) J. Phys. Chem. Solids , vol.56 , pp. 501
- Bernasconi, M.¹ Chiarotti, G.L.² Focher, P.³ Scandolo, S.⁴ Tosatti, E.⁵ Parrinello, M.⁶

72
- 0001336950
- F. Mauri, G. Galli, Phys. Rev. B 50 (1994) 4316.
- (1994) Phys. Rev. B , vol.50 , pp. 4316
- Mauri, F.¹ Galli, G.²

73
- 0000948202
- J. Hutter, M.E. Tuckerman, M. Parrinello, J. Chem. Phys. 102 (1995) 859.
- (1995) J. Chem. Phys. , vol.102 , pp. 859
- Hutter, J.¹ Tuckerman, M.E.² Parrinello, M.³

74
- 0001384481
- J. Hutter, M. Parrinello, S. Vogel, J. Chem. Phys. 101 (1994) 3862.
- (1994) J. Chem. Phys. , vol.101 , pp. 3862
- Hutter, J.¹ Parrinello, M.² Vogel, S.³

75
- 0001256220
- D. Marx, M. Parrinello, J. Chem. Phys. 104 (1997) 4077.
- (1997) J. Chem. Phys. , vol.104 , pp. 4077
- Marx, D.¹ Parrinello, M.²

76
- 0000671855
- M.E. Tuckerman, D. Marx, M.L. Klein, M. Parrinello, J. Chem. Phys. 104 (1997) 5579.
- (1997) J. Chem. Phys. , vol.104 , pp. 5579
- Tuckerman, M.E.¹ Marx, D.² Klein, M.L.³ Parrinello, M.⁴

77
- 4243798223
- M. Pavese, D.R. Berard, G.A. Voth, Chem. Phys. Lett. 300 (1999) 1.
- (1999) Chem. Phys. Lett. , vol.300 , pp. 1
- Pavese, M.¹ Berard, D.R.² Voth, G.A.³

78
- 85031576254
- 000
- D. Marx, M.E. Tuckerman, G.J. Martyna, Comput. Phys. Comm. 118 (1999) 000.
- (1999) Comput. Phys. Comm. , vol.118
- Marx, D.¹ Tuckerman, M.E.² Martyna, G.J.³

79
- 0007036964
- M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 1 (1992) 2199.
- (1992) Rev. Mod. Phys. , vol.1 , pp. 2199
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

80
- 0026938185
- LJ. Clark, I. Stich, M.C. Payne, Comput. Phys. Commun. 72 (1992) 14.
- (1992) Comput. Phys. Commun. , vol.72 , pp. 14
- Clark, L.J.¹ Stich, I.² Payne, M.C.³

81
- 84872905377
- S. Poykko, Lecture Notes Comput. Sci. 1541 (1998) 452.
- (1998) Lecture Notes Comput. Sci. , vol.1541 , pp. 452
- Poykko, S.¹

82
- 0041784950
- A. Mackerell, Jr., D. Bashford, M. Bellott, R.L. Dumbrack, J.D. Evanseck, M.J. Field, S. Fischer, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kcuhnir, K. Kuczera, F.T.K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W.E. Reiher III, B. Roux, M. Schlenkrich, J.C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, M. Karplus, J. Phys. Chem. B 102 (1998) 3586.
- (1998) J. Phys. Chem. B , vol.102 , pp. 3586
- Mackerell A., Jr.¹ Bashford, D.² Bellott, M.³ Dumbrack, R.L.⁴ Evanseck, J.D.⁵ Field, M.J.⁶ Fischer, S.⁷ Guo, H.⁸ Ha, S.⁹ Joseph-McCarthy, D.¹⁰ Kcuhnir, L.¹¹ Kuczera, K.¹² Lau, F.T.K.¹³ Mattos, C.¹⁴ Michnick, S.¹⁵ Ngo, T.¹⁶ Nguyen, D.T.¹⁷ Prodhom, B.¹⁸ Reiher W.E. III¹⁹ Roux, B.²⁰ more..

83
- 0029011701
- W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, Jr., D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, P.A. Kollman, J. Amer. Chem. Soc. 117 (1995) 5179.
- (1995) J. Amer. Chem. Soc. , vol.117 , pp. 5179
- Cornell, W.D.¹ Cieplak, P.² Bayly, C.I.³ Gould, I.R.⁴ Merz K.M., Jr.⁵ Ferguson, D.M.⁶ Spellmeyer, D.C.⁷ Fox, T.⁸ Caldwell, J.W.⁹ Kollman, P.A.¹⁰

84
- 33645961739
- U. Essmann, L. Perera, M.L. Berkowitz, T.A. Darden, H.L. Lee, L.G. Pedersen, J. Chem. Phys. 103 (1995) 8577.
- (1995) J. Chem. Phys. , vol.103 , pp. 8577
- Essmann, U.¹ Perera, L.² Berkowitz, M.L.³ Darden, T.A.⁴ Lee, H.L.⁵ Pedersen, L.G.⁶

85
- 85031572967
- to be submitted
- G.J. Martyna, K. Pihakari, M.E. Tuckerman, to be submitted.
- J. Chem. Phys.
- Martyna, G.J.¹ Pihakari, K.² Tuckerman, M.E.³

86
- 0031185807
- E. Houstis, E. Gallopoulos, R. Bramley, J. Rice, IEEE Comput. Sci. Engrg. 4 (3) (1997) 18-21.
- (1997) IEEE Comput. Sci. Engrg. , vol.4 , Issue.3 , pp. 18-21
- Houstis, E.¹ Gallopoulos, E.² Bramley, R.³ Rice, J.⁴

87
- 0003971337
- Prentice-Hall
- R. Otte, P. Patrick, M. Roy, Understanding CORBA (Prentice-Hall, 1996).
- (1996) Understanding CORBA
- Otte, R.¹ Patrick, P.² Roy, M.³

88
- 0030721316
- PARDIS: A parallel approach to CORBA
- best paper award
- K. Keahey, D. Gannon, PARDIS: A parallel approach to CORBA, in: Proceedings of the 6th IEEE International Symposium on High Performance Distributed Computing (best paper award) (1997).
- (1997) Proceedings of the 6th IEEE International Symposium on High Performance Distributed Computing
- Keahey, K.¹ Gannon, D.²

89
- 0011181094
- I.F. Silvera, V.V. Goldman, J. Chem. Phys. 69 (1978) 4209.
- (1978) J. Chem. Phys. , vol.69 , pp. 4209
- Silvera, I.F.¹ Goldman, V.V.²

90
- 0001654386
- D. Scharf, G. Martyna, M.L. Klein, Low Temp. Phys. 19 (1993) 365.
- (1993) Low Temp. Phys. , vol.19 , pp. 365
- Scharf, D.¹ Martyna, G.² Klein, M.L.³

91
- 36449007836
- S.E. Feller, Y. Zhang, R.W. Pastor, B.R. Brooks, J. Chem. Phys. 103 (1995) 4613.
- (1995) J. Chem. Phys. , vol.103 , pp. 4613
- Feller, S.E.¹ Zhang, Y.² Pastor, R.W.³ Brooks, B.R.⁴

92
- 0007038468
- R.D. Goodwin, D.E. Diller, H.M. Roder, L.A. Weber, J. Research NBS 67 A (1963) 173.
- (1963) J. Research NBS , vol.67 A , pp. 173
- Goodwin, R.D.¹ Diller, D.E.² Roder, H.M.³ Weber, L.A.⁴

93
- 0003595901
- Israel Program for Scientific Translations Ltd. Jerusalem, Israel, Translated from Russian by Ch. Niesenbaum
- B.N. Esel'son, Yu.P. Blagoi, V.V. Grigor'ev, VG. Manzhelii, S.A. Mikhailenko, N.P. Neklyudov, Properties of Liquid and Solid Hydrogen, Israel Program for Scientific Translations Ltd. (Jerusalem, Israel, 1971) (Translated from Russian by Ch. Niesenbaum).
- (1971) Properties of Liquid and Solid Hydrogen
- Esel'son, B.N.¹ Blagoi, Y.P.² Grigor'ev, V.V.³ Manzhelii, V.G.⁴ Mikhailenko, S.A.⁵ Neklyudov, N.P.⁶

94
- 85031558145
- Quantum effects on the liquid state properties of small alkanes
- to be submitted
- E. Balog, A.L. Hughes, G.J. Martyna, Quantum effects on the liquid state properties of small alkanes, J. Chem. Phys. (1999) to be submitted.
- (1999) J. Chem. Phys.
- Balog, E.¹ Hughes, A.L.² Martyna, G.J.³

95
- 0000577737
- M. Diraison, G.J. Martyna, M.E. Tuckerman, J. Chem. Phys. 110 (1999) 1096.
- (1999) J. Chem. Phys. , vol.110 , pp. 1096
- Diraison, M.¹ Martyna, G.J.² Tuckerman, M.E.³

96
- 36448998718
- M.A. Ricci, M. Nardone, F.P. Ricci, C. Andreani, A.K. Soper, J. Chem. Phys. 102 (1995) 7650.
- (1995) J. Chem. Phys. , vol.102 , pp. 7650
- Ricci, M.A.¹ Nardone, M.² Ricci, F.P.³ Andreani, C.⁴ Soper, A.K.⁵

97
- 0007036695
- W. Deamder, M. Akeson, Adv. Chem. Ser. 41 (1995) 235.
- (1995) Adv. Chem. Ser. , vol.41 , pp. 235
- Deamder, W.¹ Akeson, M.²

98
- 0001557630
- H.S. Mei, M.E. Tuckerman, D.E. Sagnella, M.L. Klein, J. Phys. Chem. B 102 (1998) 10 446.
- (1998) J. Phys. Chem. B , vol.102 , pp. 10446
- Mei, H.S.¹ Tuckerman, M.E.² Sagnella, D.E.³ Klein, M.L.⁴

99
- 0000827419
- A. Bach, S. Leutwyler, Chem. Phys. Lett. 299 (1999) 381.
- (1999) Chem. Phys. Lett. , vol.299 , pp. 381
- Bach, A.¹ Leutwyler, S.²

100
- 4243296991
- Y.L. Zhang, W.M. Zheng, Phys. Rev. E 55 (1997) 4531.
- (1997) Phys. Rev. E , vol.55 , pp. 4531
- Zhang, Y.L.¹ Zheng, W.M.²

101
- 0033580290
- D. Marx, M.E. Tuckerman, J. Hutter, M. Parrinello, Nature 397 (1999) 601.
- (1999) Nature , vol.397 , pp. 601
- Marx, D.¹ Tuckerman, M.E.² Hutter, J.³ Parrinello, M.⁴

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