The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events
Abstract
I derive a general method for accelerating the molecular-dynamics (MD) simulation of infrequent events in solids. A bias potential ( $\ensuremath{\Delta}{V}_{b}$) raises the energy in regions other than the transition states between potential basins. Transitions occur at an accelerated rate and the elapsed time becomes a statistical property of the system. $\ensuremath{\Delta}{V}_{b}$ can be constructed without knowing the location of the transition states and implementation requires only first derivatives. I examine the diffusion mechanisms of a 10-atom Ag cluster on the Ag(111) surface using a $220\ensuremath{\mu}\mathrm{s}$ hyper-MD simulation.
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Citations
Cites
Unified Approach for Molecular Dynamics and Density-Functional Theory
Car, R., & Parrinello, M. (1985) · Physical Review Letters · doi:10.1103/physrevlett.55.2471 · Cited by 10,754
Frequency factors and isotope effects in solid state rate processes
Vineyard, G. H. (1957) · Journal of Physics and Chemistry of Solids · doi:10.1016/0022-3697(57)90059-8 · Cited by 2,269
A method for accelerating the molecular dynamics simulation of infrequent events
Voter, A. F. (1997) · The Journal of Chemical Physics · doi:10.1063/1.473503 · Cited by 608
Self-citationEAM study of surface self-diffusion of single adatoms of fcc metals Ni, Cu, Al, Ag, Au, Pd, and Pt
Liu, C. L., Cohen, J. M., Adams, J. B., & Voter, A. F. (1991) · Surface Science · doi:10.1016/0039-6028(91)90604-q · Cited by 563
Self-citationClassically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100)
Voter, A. F. (1986) · Physical Review B · doi:10.1103/physrevb.34.6819 · Cited by 490
Self-citationSurface self-diffusion on Pt(001) by an atomic exchange mechanism
Kellogg, G. L., & Feibelman, P. J. (1990) · Physical Review Letters · doi:10.1103/physrevlett.64.3143 · Cited by 405
Diffusion path for an Al adatom on Al(001)
Feibelman, P. J. (1990) · Physical Review Letters · doi:10.1103/physrevlett.65.729 · Cited by 386
Voter, A. F., & Doll, J. D. (1985) · The Journal of Chemical Physics · doi:10.1063/1.448739 · Cited by 288
Self-citationContribution à l’étude de la cinétique physico-chimique
Marcelin, M. R. (1915) · Annales de Physique · doi:10.1051/anphys/191509030120 · Cited by 133
Dislocation Mechanism for Island Diffusion on fcc (111) Surfaces
Hamilton, J. C., Daw, M. S., & Foiles, S. M. (1995) · Physical Review Letters · doi:10.1103/physrevlett.74.2760 · Cited by 120
Cited by
Laio, A., & Parrinello, M. (2002) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.202427399 · Cited by 5,626
Scalable molecular dynamics on CPU and GPU architectures with NAMD
Phillips, J. C., Hardy, D. J., Maia, J. D. C., Stone, J. E., Ribeiro, J. V., Bernardi, R. C., Buch, R., Fiorin, G., Hénin, J., Jiang, W., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0014475 · Cited by 3,144
T RANSITION P ATH S AMPLING : Throwing Ropes Over Rough Mountain Passes, in the Dark
Bolhuis, P. G., Chandler, D., Dellago, C., & Geissler, P. L. (2002) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.53.082301.113146 · Cited by 1,972
Laio, A., & Gervasio, F. L. (2008) · Reports on Progress in Physics · doi:10.1088/0034-4885/71/12/126601 · Cited by 1,619
Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules
Hamelberg, D., Mongan, J., & McCammon, J. A. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1755656 · Cited by 1,528
Metadata
- Authors
- Voter, A. F.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1997-05-19
- Volume
- 78
- Issue
- 20
- Pages
- 3908-3911
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1999522888
- Cited by
- 987
- References
- 12
- FWCI
- 13.40
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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