49 citations · 77 across the 4 of their papers we have counts for
4 papers
Replica-Permutation Method with the Suwa-Todo Algorithm beyond the Replica-Exchange Method
Satoru G. Itoh, Hisashi Okumura
We propose a new method for molecular dynamics and Monte Carlo simulations, which is referred to as the replica-permutation method (RPM), to realize more efficient sampling than th…
Replica-Exchange Method in van der Waals Radius Space: Overcoming Steric Restrictions for Biomolecules
Satoru G. Itoh, Hisashi Okumura, Yuko Okamoto
We present a new type of the Hamiltonian replica-exchange method, in which not temperatures but the van der Waals radius parameter is exchanged. By decreasing the van der Waals rad…
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…
Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm
Satoru G. Itoh, Yuko Okamoto
We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a…