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Yuko Okamoto

5PUBLICATIONS

0CO-AUTHORS

Chemical thermodynamics and energeticsStatistical mechanics in chemistryTheory and design of materialsTransition metal chemistryComputational chemistry

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Publications (5)

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|Mar 09, 2021

Analysis of liquids, gases, and supercritical fluids by a two-dimensional replica-exchange Monte Carlo method in temperature and chemical potential space.

Daiki Matsubara, Yuko Okamoto

|Jan 30, 2021

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

|Oct 08, 2018

Conformational properties of an artificial GM1 glycan cluster based on a metal-ligand complex.

Yuhei Tachi, Yuko Okamoto, Hisashi Okumura

|Aug 24, 2018

Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile.

Shingo Ito, Ying Wang, Yuko Okamoto

|Apr 02, 2018

Computational analysis for selectivity of histone deacetylase inhibitor by replica-exchange umbrella sampling molecular dynamics simulations.

Shuichiro Tsukamoto, Yoshitake Sakae, Yukihiro Itoh

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