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The Nose–Hoover thermostat
Abstract
We derive equilibrium fluctuation expressions for the linear response of many body systems thermostated by the Nose–Hoover thermostat. We show that in the thermodynamic limit this response is the same as that of the corresponding Gaussian isothermal system. Numerical comparisons for shear flow show however that the Gaussian methods provide a significantly more efficient means of calculating the shear viscosity coefficient.
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Cited by
Chu, C. T., Ji, J., Dagda, R. K., Jiang, J. F., Tyurina, Y. Y., Kapralov, A. A., Tyurin, V. A., Yanamala, N., Shrivastava, I. H., Mohammadyani, D., et al. (2013) · Nature Cell Biology · doi:10.1038/ncb2837 · Cited by 1,083
High-throughput prediction of protein conformational distributions with subsampled AlphaFold2
Monteiro da Silva, G., Cui, J. Y., Dalgarno, D. C., Lisi, G. P., & Rubenstein, B. M. (2024) · Nature Communications · doi:10.1038/s41467-024-46715-9 · Cited by 196
Acin-Perez, R., Gatti, D. L., Bai, Y., & Manfredi, G. (2011) · Cell Metabolism · doi:10.1016/j.cmet.2011.03.024 · Cited by 190
(2023) · doi:10.1016/j.neuron.2023.11.020 · Cited by 127
Bates, J. S., Bukowski, B. C., Greeley, J., & Gounder, R. (2020) · Chemical Science · doi:10.1039/d0sc02589e · Cited by 117
Metadata
- Authors
- Evans, D. J., & Holian, B. L.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1985-10-15
- Volume
- 83
- Issue
- 8
- Pages
- 4069-4074
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1987327282
- Cited by
- 3,502
- References
- 0
- FWCI
- 10.23
- Type
- journal article
- Language
- en
- Open access
- closed
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- Evans, D. J., & Holian, B. L. (1985). The Nose–Hoover thermostat. The Journal of Chemical Physics. https://doi.org/10.1063/1.449071
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