Informationsverarbeitungsvorrichtung, Informationsverarbeitungsverfahren und Programm

Details

Veröffentlichungs-Nr.

EP4769417

Anmeldetag

21. August 2024

Veröffentlichung

6. März 2025

Rechtsraum

EP

IPC

G16C10/00

Abstract

A molecular dynamics calculation unit configured to calculate a motion of a molecular group including at least one of atoms or molecules, by using molecular dynamics calculation; a mean square displacement calculation unit configured to calculate a mean square displacement for each of the atoms and the molecules; a diffusion coefficient calculation unit configured to calculate a diffusion coefficient for each of the atoms and the molecules based on the mean square displacement for each of the atoms and the molecules; a fitting unit to configured perform fitting on a cumulative probability of the diffusion coefficient with a cumulative distribution function; and a diffusion coefficient determination unit configured to determine a diffusion coefficient of the molecular group, based on the cumulative distribution function used for the fitting, are provided.

Anmelder

Firma

Resonac Corporation

Land

🇯🇵 Japan