Accurate Langevin Integration for Isothermal-Isobaric condition with a large time step

Presentation information

Contributed talks (Methods/Large-scale computing)

Methods/Large-scale computing

Mon. Aug 7, 2023 2:00 PM - 3:20 PM 504＋505 (Room 6) (5F)

Chair: Bernard R Brooks (National Heart, Lung, and Blood Institute)

2:20 PM - 2:40 PM

*Jaewoon Jung^1,2, Yuji Sugita^1,2,3 (1. RIKEN R-CCS (Japan), 2. RIKEN CPR (Japan), 3. RIKEN BDR (Japan))

Keywords:molecular dynamics, langevin dynamics, isothermal-isobaric

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