Hirofumi Sato

52PUBLICATIONS
64CO-AUTHORS
Metal organic frameworksStatistical mechanics in chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Reaction engineering (excl. nuclear reactions)Theoretical quantum chemistry
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Publications (52)

|Sep 02, 2026
Comprehensive analysis of the mechanism of coordination self-assembly of a caged dinuclear palladium complex on the basis of DFT computations.

|Aug 27, 2026
Perfluorocubane as a σ* orbital-based electron acceptor beyond classical electron-transfer models.

|Jul 07, 2026
Statistical mechanical theories for polyatomic molecular liquid systems: RISM, 3D-RISM and other integral equation theories.

|Jun 16, 2026
Efficient Nonadiabatic Molecular Dynamics for Exploring Excitation Energy Transfer in Thermally Fluctuating Molecular Aggregates.

|Jun 15, 2026
Understanding the Mechanism of Low-Temperature NH3-SCR Half-Cycle on Cu-CHA Using Automated Reaction Path Search.

|Jun 04, 2026
First-principles computation of electronic circular dichroism spectra of solvated molecules using RISM-SCF-cSED.

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Frequent Collaborators

21 joint publications

Masahiro Higashi

10 joint publications

Shuichi Hiraoka

5 joint publications

Kosuke Imamura

5 joint publications

Satoshi Takahashi