The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Explicit reversible integrators for extended systems dynamics
Abstract
Explicit reversible integrators, suitable for use in large-scale computer simulations, are derived for extended systems generating the canonical and isothermal-isobaric ensembles. The new methods are compared with the standard implicit (iterative) integrators on some illustrative example problems. In addition, modification of the proposed algorithms for multiple time step integration is outlined.
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Citations
Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
On the product of semi-groups of operators
Trotter, H. F. (1959) · Proceedings of the American Mathematical Society · doi:10.1090/s0002-9939-1959-0108732-6 · Cited by 2,282
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
A simple polarizable model of water based on classical Drude oscillators
Lamoureux, G., MacKerell, A. D., & Roux, B. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1598191 · Cited by 688
Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator
Lopes, P. E. M., Huang, J., Shim, J., Luo, Y., Li, H., Roux, B., & MacKerell, A. D. (2013) · Journal of Chemical Theory and Computation · doi:10.1021/ct400781b · Cited by 386
Coarse-grained molecular modeling of non-ionic surfactant self-assembly
Shinoda, W., DeVane, R., & Klein, M. L. (2008) · Soft Matter · doi:10.1039/b808701f · Cited by 262
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Metadata
- Authors
- Martyna, G. J., Tuckerman, M. E., Tobias, D. J., & Klein, M. L.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1996-04-10
- Volume
- 87
- Issue
- 5
- Pages
- 1117-1157
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2138305674
- Cited by
- 1,953
- References
- 2
- FWCI
- 40.10
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Explicit reversible integrators for extended systems dynamics. https://app.cochat.ai/papers/10.1080/00268979600100761
- The paper
- Martyna, G. J., Tuckerman, M. E., Tobias, D. J., & Klein, M. L. (1996). Explicit reversible integrators for extended systems dynamics. Molecular Physics. https://doi.org/10.1080/00268979600100761
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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).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
