4 records found.
Simple implementation examples of agent AI on free energy calculation and phase-field simulation
- Article
- Creator
-
Toshiyuki Koyama
;
Yusuke Matsuoka
;
Akimitsu Ishii
- Keyword
- generative AI, LLM, LangGraph, Gibbs energy, Phase-field method, Jarzynski equality
- Date published
- 2025-12-11
- Updated at
- 2026-02-08 08:30:08 +0900
Multi-objective optimization for designing structurally similar proteins with dissimilar sequences
- Article
- Creator
- Ryo Akiba ; Yoshitaka Moriwaki ; Ryuichiro Ishitani ; Naruki Yoshikawa
- Keyword
- Protein design, multi-objective optimization, generative AI
- Date published
- 2026-12-31
- Updated at
- 2026-02-03 15:05:41 +0900
Generative-AI-assisted knowledge-based augmented exploration in nanophotonics
- Article
- Creator
-
Masanobu Iwanaga
;
Keisuke Watanabe
- Keyword
- generative AI, retrieval augmented generation, nonempirical exploration, nanophotonics, chiral metasurface, circular dichroism
- Date published
- 2025-12-31
- Updated at
- 2025-12-19 16:31:37 +0900
Exploring utilization of generative AI for research and education in data-driven materials science
- Article
- Creator
-
Takahiro Misawa
;
Ai Koizumi
;
Ryo Tamura
;
Kazuyoshi Yoshimi
- Keyword
- generative AI
- Date published
- 2025-12-31
- Updated at
- 2025-10-02 12:30:17 +0900