High-Throughput of Measure-Preserving Integrators Derived from the Liouville Operator for Molecular Dynamics Simulations on GPUs
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Publisher
Springer International Publishing
Link
https://link.springer.com/content/pdf/10.1007/978-3-031-04209-6_17
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4. Lippert, R.A., et al.: Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure. J. Chem. Phys. 139, 164106 (2013)
5. Berendsen, H.J.C., Postma, J.P.M., van-Gunsteren, W.F., DiNola, A., Haak, J.R.: Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81, 3684–3690 (1984)
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