The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
Abstract
Using a transformation of the rigid body equations of motion due to Evans [4], a new algorithm is presented for the molecular dynamics simulation of rigid polyatomic molecules. The algorithm consists of solving the eulerian rigid body equations, using quaternions to represent orientations, by a fifth-order predictor corrector method. Compared to previous methods, it is shown that this algorithm leads to an order of magnitude increase in computing speed.
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Cites
Goldstein, H. (1951) · UCLA - Biblioteca de Ciencias y Tecnologia Felix Morales Bueno · Cited by 10,004
Improved simulation of liquid water by molecular dynamics
Stillinger, F. H., & Rahman, A. (1974) · The Journal of Chemical Physics · doi:10.1063/1.1681229 · Cited by 1,687
Molecular Dynamics Study of Liquid Water
Rahman, A., & Stillinger, F. H. (1971) · The Journal of Chemical Physics · doi:10.1063/1.1676585 · Cited by 1,393
Liquid argon: Monte carlo and molecular dynamics calculations
Barker, J. A., Fisher, R. A., & Watts, R. O. (1971) · Molecular Physics · doi:10.1080/00268977100101821 · Cited by 623
On the representatation of orientation space
Evans, D. J. (1977) · Molecular Physics · doi:10.1080/00268977700101751 · Cited by 423
Self-citationNonbonded Potential Parameters Derived from Crystalline Aromatic Hydrocarbons
Williams, D. E. (1966) · The Journal of Chemical Physics · doi:10.1063/1.1727399 · Cited by 370
The properties of liquid nitrogen: IV. A computer simulation
Cheung, P. S. Y., & Powles, J. G. (1975) · Molecular Physics · doi:10.1080/00268977500102461 · Cited by 326
Simulation of Diatomic Homonuclear Liquids
Barojas, J., Levesque, D., & Quentrec, B. (1973) · Physical Review A · doi:10.1103/physreva.7.1092 · Cited by 306
Cheung, P. S. Y. (1976) · Chemical Physics Letters · doi:10.1016/0009-2614(76)80110-8 · Cited by 57
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Zhong, W., Yu, A., Liu, X., Tong, Z., & Zhang, H. (2016) · Powder Technology · doi:10.1016/j.powtec.2016.07.010 · Cited by 659
Velocity Verlet algorithm for dissipative-particle-dynamics-based models of suspensions
Martys, N. S., & Mountain, R. D. (1999) · Physical Review E · doi:10.1103/physreve.59.3733 · Cited by 295
Metadata
- Authors
- Evans, D. J., & Murad, S.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1977-08
- Volume
- 34
- Issue
- 2
- Pages
- 327-331
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2070664191
- Cited by
- 494
- References
- 9
- FWCI
- 4.63
- Type
- journal article
- Language
- en
- Open access
- closed
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- Evans, D. J., & Murad, S. (1977). Singularity free algorithm for molecular dynamics simulation of rigid polyatomics. Molecular Physics. https://doi.org/10.1080/00268977700101761
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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