Search

Categories

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Authors

Yuji Sugita

3 results in Authors: Yuji Sugita

Theoretical and Computational Chemistry

Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning

Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita

Version 1 posted 18 October 2024

326

Downloads

Physical Chemistry

Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins

Hiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi

Version 1 posted 24 February 2023

188

Downloads

Theoretical and Computational Chemistry

Learning QM/MM Potential using Equivariant Multiscale Model

Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita

Version 1 posted 26 February 2024

651

Downloads