Dissipative particle dynamics at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using Shardlow-like splitting algorithms
Numerical integration schemes based upon the Shardlow-splitting algorithm (SSA) are
presented for dissipative particle dynamics (DPD) approaches at various fixed conditions,
including a constant-enthalpy (DPD-H) method that is developed by combining the
equations-of-motion for a barostat with the equations-of-motion for the constant-energy
(DPD-E) method. The DPD-H variant is developed for both a deterministic (Hoover) and
stochastic (Langevin) barostat, where a barostat temperature is defined to satisfy the …
presented for dissipative particle dynamics (DPD) approaches at various fixed conditions,
including a constant-enthalpy (DPD-H) method that is developed by combining the
equations-of-motion for a barostat with the equations-of-motion for the constant-energy
(DPD-E) method. The DPD-H variant is developed for both a deterministic (Hoover) and
stochastic (Langevin) barostat, where a barostat temperature is defined to satisfy the …
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