60 citations · 110 across the 5 of their papers we have counts for
5 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…
Probing a non-biaxial behavior of infinitely thin hard platelets
Hitomi Nomura, Tomonori Koda, Akihiro Nishioka +1
We give a criterion to test a non-biaxial behavior of infinitely thin hard platelets of symmetry based upon the components of three order parameter tensors. We investigate…
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…
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…