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physics.comp-ph2021
A random batch Ewald method for charged particles in the isothermal-isobaric ensemble
Jiuyang Liang, Pan Tan, Liang Hong +3
We develop an accurate, highly efficient and scalable random batch Ewald (RBE) method to conduct simulations in the isothermal-isobaric ensemble (the NPT ensemble) for charged part…
physics.comp-ph2021
Superscalability of the random batch Ewald method
Jiuyang Liang, Pan Tan, Yue Zhao +4
Coulomb interaction, following an inverse-square force-law, quantifies the amount of force between two stationary and electrically charged particles. The long-range nature of Coulo…