Parallel-in-time molecular-dynamics simulations

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 66, Issue 5, 2002, Pages 4-

  Baffico, L ^a   Bernard, S ^b   Maday, Y ^a   Turinici, G ^c   Zerah G ^b  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b CEA DIF   (France)

^c INRIA ROCQUENCOURT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFERENTIAL EQUATIONS; ERROR ANALYSIS; ESTIMATION; FEEDBACK; ITERATIVE METHODS; TIME DOMAIN ANALYSIS;

AB INITIO SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALE SIMULATIONS; RATE TRANSITION THEORY;

MOLECULAR DYNAMICS;

ARTICLE;

EID: 37649027489     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.66.057701     Document Type: Article

References (10)

1. J. Broughton, F. Abraham, N. Berstein, and E. Kaxiras, Phys. Rev. B 60, 2391 (1999).
2. J. Lions, Y. Maday, and G. Turinici, C. R. Acad. Sci., Ser. I: Math. 232, 661 (2001).
3. R. Olender and R. Elber, J. Chem. Phys. 105, 9299 (1996).
4. R. Elber, J. Meller, and R. Olender, J. Phys. Chem. B 103, 899 (1999).
5. V. Zaloj and R. Elber, Comput. Phys. Commun. 128, 118 (2000).
6. G. Bal and Y. Maday, in Recent Developments in Domain Decomposition Methods, edited by Luca F. Pavarino and Andrea Toselli, Lecture Notes in Computational Science and Engineering Vol. 23 (Springer-Verlag, Berlin, 2002).
7. Abinit is a joint project of Université Catholique de Louvain, Corning glass Inc, and other institutions including the Commissariat à l’énergie atomique, http://www.abinit.org
8. F. Ercolessi and J.B. Adams, Europhys. Lett. 26, 583 (1994).
9. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50, 1285 (1983).
10. F. Ercolessi, http://www.fisica.uniud.it/∼ercolessi/potentials/AI