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Genre/Form: | Conference papers and proceedings Congresses |
---|---|
Material Type: | Conference publication |
Document Type: | Book |
All Authors / Contributors: |
Bruce J Berne; Giovanni Ciccotti; David F Coker; Società italiana di fisica. |
ISBN: | 9810234988 9789810234980 |
OCLC Number: | 40586044 |
Notes: | "Under the auspices of the Italian Physical Society as part of the International School 'Enrico Fermi'." |
Description: | 1, 829 pages : illustrations ; 26 cm. |
Contents: | Barrier crossing - classical theory of rare but important events, d. Chandler; Monte Carlo simulations, D. Frenkel; molecular dynamics methods for the enhanced sampling of phase space, B.J. Berne; constrained and nonequilibrium molecular dynamics, G. Ciccotti, M. Ferrario; from frying to Kramers - computation of diffusive barrier crossing rates, M.J. Ruiz-Montero; Monte Carlo methods for sampling of rare event states, W. Janke; proton transfer in ice, D. Marx et al; nudged elastic band method for finding minimum energy paths of transition, H. Jonsson et al; RAW quantum transition state theory, G. Mills et al; dynamics of peptide folding, R. Elber et al; theoretical studies of activated processes in biological ion channels, B. Roux, S. Grouzy; the semiclassical initial value representation for including quantum effects in molecular dynamics simulations, W.H. Miller; tunnelling in the condensed phase - barrier crossing and dynamical control, N. Makri; Feynman path centroid methods of condensed phase quantum dynamics, G.A. Voth; quantum molecular dynamics using Wigner representation, V.S. Filinov et al; nonadiabatic molecular dynamics methods for diffusion, D. Laria et al. (Part contents). |
Series Title: | Euroconference on "Technical Advances in Particle-Based Computational Material Sicences." |
Responsibility: | editors, Bruce J. Berne, Giovanni Ciccotti, David F. Coker. |
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