829 citations · 1.7k across the 45 of their papers we have counts for
45 papers
Reconstruction: Rational Approximation of the Complex Error Function and the Electric Field of a Two-Dimensional Gaussian Charge Distribution
John Talman, Yuko Okamoto, Richard Talman
This paper resurrects and archives an unpublished original Cornell Laboratory of Nuclear Studies report by Yuko Okamoto and Richard Talman, "Rational Approximation of the Complex E…
Two-dimensional simulated tempering for the isobaric-isothermal ensemble with fast on-the-fly weight determination
Hiromune Wada, Yuko Okamoto
We propose a method to extend the fast on-the-fly weight determination scheme for simulated tempering to two-dimensional space including not only temperature but also pressure. Dur…
Calculation of the Residual Entropy of Ice Ih by Monte Carlo simulation with the Combination of the Replica-Exchange Wang-Landau algorithm and Multicanonical Replica-Exchange Method
Takuya Hayashi, Chizuru Muguruma, Yuko Okamoto
We estimated the residual entropy of ice Ih by the recently developed simulation protocol, namely, the combination of Replica-Exchange Wang-Landau algorithm and Multicanonical Repl…
An Efficient Simulation Protocol for Determining the Density of States: Combination of Replica-Exchange Wang-Landau Method and Multicanonical Replica-Exchange Method
Takuya Hayashi, Yuko Okamoto
By combining two generalized-ensemble algorithms, Replica-Exchange Wang-Landau (REWL) method and Multicanonical Replica-Exchange Method (MUCAREM), we propose an effective simulatio…
Combination of genetic crossover and replica-exchange method for conformational search of protein systems
Yoshitake Sakae, Tomoyuki Hiroyasu, Mitsunori Miki +2
We combined the genetic crossover, which is one of the operations of genetic algorithm, and replica-exchange method in parallel molecular dynamics simulations. The genetic crossove…
A Conformational Search Method for Protein Systems Using Genetic Crossover and Metropolis Criterion
Yoshitake Sakae, Tomoyuki Hiroyasu, Mitsunori Miki +2
Many proteins carry out their biological functions by forming the characteristic tertiary structures. Therefore, the search of the stable states of proteins by molecular simulation…