output
19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2005 · physics.chem-phShow all

3 papers · 2 filters

physics.chem-ph2005★ 20 cited

Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: acetonitrile in water, methanol in water, and methanol in acetonitrile

A. E. Kobryn, T. Yamaguchi, F. Hirata

We present results of theoretical study and numerical calculation of the dynamics of molecular liquids based on combination of the memory equation formalism and the reference inter…

physics.chem-ph2005★ 10 cited

Study of anomalous mobility of polar molecular solutions by means of the site-site memory equation formalism

A. E. Kobryn, T. Yamaguchi, F. Hirata

In this work, the memory equation approach is applied for theoretical study of dynamics of polar molecular liquids described by the interaction site model. The study includes the t…

physics.chem-ph2005★ 11 cited

Pressure dependence of diffusion coefficient and orientational relaxation time for acetonitrile and methanol in water: DRISM/mode-coupling study

A. E. Kobryn, T. Yamaguchi, F. Hirata

We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. T…