Search

Categories

Biological and Medicinal Chemistry

(1)

Materials Chemistry

(1)

Organic Chemistry

(1)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Last 6 months

(1)

Keywords

Authors

Naoki Watanabe

3 results in Authors: Naoki Watanabe

Physical Chemistry

Geometry Optimization using the Frozen Domain and Partial Dimer Approach with the Fragment Molecular Orbital Method: Implementation, Benchmark, and Application for Ligand-Binding Site of Proteins

Koji Okuwaki, Naoki Watanabe, Koichiro Kato, Chiduru Watanabe, Naofumi Nakayama, Akifumi Kato, Yuji Mochizuki, Tatsuya Nakano, Teruki Honma, Kaori Fukuzawa

Version 1 posted 24 July 2024

114

Downloads

Materials Chemistry

Using GPT-4 in Parameter Selection of Materials Informatics: Improving Predictive Accuracy Amidst Data Scarcity and 'Ugly Duckling' Dilemma

Kan Hatakeyama-Sato, Seigo Watanabe, Naoki Yamane, Yasuhiko Igarashi, Kenichi Oyaizu

Version 1 posted 30 May 2023

1,336

Downloads

1

Citations

Theoretical and Computational Chemistry

PyQM/MM: a Python Interface for ONIOM(QM:MM) Calculations with the AMOEBA09 Polarizable Force Field to Study the Chemical Processes in the Interstellar Medium

P. V. G. M. Rathnayake, W. M. C. Sameera, Naoki Watanabe

Version 1 posted 23 May 2022

429

Downloads

2

Citations