454 citations · 458 across the 4 of their papers we have counts for
4 papers
Free energy calculations of a proton transfer reaction by simulated tempering umbrella sampling first principles molecular dynamics simulations
Yoshiharu Mori, Yuko Okamoto
A new simulated tempering method, which is referred to as simulated tempering umbrella sampling, for calculating the free energy of chemical reactions is proposed. First principles…
Light Sterile Neutrinos: A White Paper
K. N. Abazajian, M. A. Acero, S. K. Agarwalla +184
This white paper addresses the hypothesis of light sterile neutrinos based on recent anomalies observed in neutrino experiments and the latest astrophysical data.
Generalized-Ensemble Algorithms for the Isobaric-Isothermal Ensemble
Yoshiharu Mori, Yuko Okamoto
We present generalized-ensemble algorithms for isobaric-isothermal molecular simulations. In addition to the multibaric-multithermal algorithm and replica-exchange method for the i…
Replica-Exchange Molecular Dynamics Simulations for Various Constant Temperature Algorithms
Yoshiharu Mori, Yuko Okamoto
In the replica-exchange molecular dynamics method, where constant-temperature molecular dynamics simulations are performed in each replica, one usually rescales the momentum of eac…