SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Computer Physics Communications

Volumn 124, Issue 2-3, 2000, Pages 139-147

Point-centered domain decomposition for parallel molecular dynamics simulation

(3) Koradi, R a Billeter, M b Guntert P c

a TRIPOS INC (United States)

b UNIVERSITY OF GOTHENBURG (Sweden)

c ETH ZURICH (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATION THEORY; COMPUTER SIMULATION; COMPUTER SOFTWARE; MACROMOLECULES; MOLECULAR DYNAMICS; PERSONAL COMPUTERS; PROTEINS; WATER;

MESSAGE PASSING LIBRARY; MOLECULAR DYNAMICS SIMULATION; PARALLEL COMPUTING; POINT CENTERED DOMAIN DECOMPOSITION ALGORITHM;

ALGORITHMS;

EID: 0034140558 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(99)00436-1 Document Type: Article

Times cited : (153)

References (24)

1
- 0003451443
- Oxford University Press, Oxford
- M.P. Allen, DJ. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
- (1987) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

2
- 0032561237
- Y. Duan, P.A. Kollman, Science 282 (1998) 740.
- (1998) Science , vol.282 , pp. 740
- Duan, Y.¹ Kollman, P.A.²

3
- 0031334264
- M.F. Crowley, T.A. Darden, T.H. Cheatham III, D.W. Deerfield II, J. Supercomputing 11 (1997) 255.
- (1997) J. Supercomputing , vol.11 , pp. 255
- Crowley, M.F.¹ Darden, T.A.² Cheatham T.H. III³ Deerfield D.W. II⁴

4
- 0008453941
- S. Plimpton, B. Hendrickson, J. Comp. Chem. 17 (1996) 469.
- (1996) J. Comp. Chem. , vol.17 , pp. 469
- Plimpton, S.¹ Hendrickson, B.²

5
- 26944482272
- M.R. Wilson, M.P. Allen, M.A. Warren, A. Sauron, W. Smith, J. Comp. Chem. 18 (1997) 478.
- (1997) J. Comp. Chem. , vol.18 , pp. 478
- Wilson, M.R.¹ Allen, M.P.² Warren, M.A.³ Sauron, A.⁴ Smith, W.⁵

6
- 0008495546
- S.E. Bolt, P.A. Kollman, J. Comp. Chem. 14 (1993) 312.
- (1993) J. Comp. Chem. , vol.14 , pp. 312
- Bolt, S.E.¹ Kollman, P.A.²

7
- 84986468507
- J.J. Vincent, K.M. Merz, Jr., J. Comp. Chem. 16 (1995) 1420.
- (1995) J. Comp. Chem. , vol.16 , pp. 1420
- Vincent, J.J.¹ Merz K.M., Jr.²

8
- 0028545494
- F. Müller-Plathe, W. Scott, W.F. van Gunsteren, Comput. Phys. Commun. 84 (1994) 102.
- (1994) Comput. Phys. Commun. , vol.84 , pp. 102
- Müller-Plathe, F.¹ Scott, W.² Van Gunsteren, W.F.³

9
- 0031547720
- S.G. Srinivasan, I. Ashok, H. Jonsson, G. Kalonji, J. Zahorjan, Comput. Phys. Commun. 102 (1997) 44.
- (1997) Comput. Phys. Commun. , vol.102 , pp. 44
- Srinivasan, S.G.¹ Ashok, I.² Jonsson, H.³ Kalonji, G.⁴ Zahorjan, J.⁵

10
- 0031187898
- D. Brown, H. Minoux, B. Maigret, Comput. Phys. Commun. 103 (1997) 170.
- (1997) Comput. Phys. Commun. , vol.103 , pp. 170
- Brown, D.¹ Minoux, H.² Maigret, B.³

11
- 0001546375
- K. Lim, S. Burnett, M. Iotov, R.B. McClurg, N. Vaidehi, S. Dasgupta, S. Taylor, W.A. Goddard III, J. Comp. Chem. 18 (1997) 501.
- (1997) J. Comp. Chem. , vol.18 , pp. 501
- Lim, K.¹ Burnett, S.² Iotov, M.³ McClurg, R.B.⁴ Vaidehi, N.⁵ Dasgupta, S.⁶ Taylor, S.⁷ Goddard W.A. III⁸

12
- 0031357966
- A. Jabbarzadeh, J.D. Atkinson, R.I. Tanner, Comput. Phys. Commun. 107 (1997) 123 .
- (1997) Comput. Phys. Commun. , vol.107 , pp. 123
- Jabbarzadeh, A.¹ Atkinson, J.D.² Tanner, R.I.³

13
- 84927514013
- G. Voronoï, J. Reine Angew. Math. 134 (1908) 198.
- (1908) J. Reine Angew. Math. , vol.134 , pp. 198
- Voronoï, G.¹

14
- 0030236215
- P. Luginbühl, P. Güntert, M. Billeter, K. Wüthnch, J. Biomol. NMR 8 (1996) 136.
- (1996) J. Biomol. NMR , vol.8 , pp. 136
- Luginbühl, P.¹ Güntert, P.² Billeter, M.³ Wüthnch, K.⁴

15
- 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

16
- 0000126999
- G. Amdahl, Proc. Amer. Fed. Information Processing Soc. 30 (1967) 483.
- (1967) Proc. Amer. Fed. Information Processing Soc. , vol.30 , pp. 483
- Amdahl, G.¹

17
- 33750587438
- H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. Di-Nola, J.R. Haak, J. Chem. Phys. 81 (1984) 3684.
- (1984) J. Chem. Phys. , vol.81 , pp. 3684
- Berendsen, H.J.C.¹ Postma, J.P.M.² Van Gunsteren, W.F.³ Di-Nola, A.⁴ Haak, J.R.⁵

18
- 0003490527
- Oxford University Press, Oxford
- M. Metcalf, J. Reid, Fortran 90 Explained (Oxford University Press, Oxford, 1990).
- (1990) Fortran 90 Explained
- Metcalf, M.¹ Reid, J.²

19
- 0008496181
- Message Passing Interface Forum, Int. J. Supercomputing Appl. 8(1994) 1.
- (1994) Message Passing Interface Forum, Int. J. Supercomputing Appl. , vol.8 , pp. 1

20
- 0003417929
- Using MPI
- MIT Press, Cambridge, MA
- W. Gropp, E. Lusk, A. Skjellum, Using MPI. Portable Parallel Programming with the Message Passing Interface (MIT Press, Cambridge, MA, 1994).
- (1994) Portable Parallel Programming with the Message Passing Interface
- Gropp, W.¹ Lusk, E.² Skjellum, A.³

21
- 0031576336
- P. Güntert, C. Mumenthaler, K. Wüthrich, J. Mol. Biol. 273 (1997) 283.
- (1997) J. Mol. Biol. , vol.273 , pp. 283
- Güntert, P.¹ Mumenthaler, C.² Wüthrich, K.³

22
- 0031565727
- M. Ottiger, O. Zerbe, P. Güntert, K. Wüthrich, J. Mol. Biol. 272 (1997) 64.
- (1997) J. Mol. Biol. , vol.272 , pp. 64
- Ottiger, M.¹ Zerbe, O.² Güntert, P.³ Wüthrich, K.⁴

23
- 0004016501
- W.J. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79 (1983) 926.
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.J.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

24
- 33646940952
- J.-P. Ryckaert, G. Ciccotti, H.J.C. Berendsen, J. Comput. Phys. 23 (1977) 32 7.
- (1977) J. Comput. Phys. , vol.23 , pp. 327
- Ryckaert, J.-P.¹ Ciccotti, G.² Berendsen, H.J.C.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.