2 papers
cond-mat.stat-mech2006
Explicit Symplectic Integrators of Molecular Dynamics Algorithms for Rigid-Body Molecules in the Canonical, Isothermal-Isobaric, and Related Ensembles
Hisashi Okumura, Satoru G. Itoh, Yuko Okamoto
We propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isothermal-isobaric ensembles. We also present a symp…
cond-mat.stat-mech2003
Monte Carlo Simulations in Multibaric-Multithermal Ensemble
H. Okumura, Y. Okamoto
We propose a new generalized-ensemble algorithm, which we refer to as the multibaric-multithermal Monte Carlo method. The multibaric-multithermal Monte Carlo simulations perform ra…