Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
- データセット
- 著者
-
Kosuke Nakano (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
;
;Stefano Battaglia (author) (この著者で検索)University of Zurich (UZH) Department of ChemistryJürg Hutter (author) (この著者で検索)University of Zurich (UZH) Department of Chemistry - キーワード
- Variational Monte Carlo, Atomic forces, rMD17
- 刊行年月日
- 更新時刻
- 2026-01-28 08:30:04 +0900
Surface-Structure Search with Variable Composition and Periodicity via Machine Learning and Evolutionary Algorithms: Applications to Pt/Ge Oxidation and Au--Sn Alloying
- ジャーナル論文
- 著者
-
;F. Kuroda (author) (この著者で検索)National Institute of Advanced Industrial Science and Technology (AIST) a Materials DX Research CenterM. Otani (author) (この著者で検索)
- キーワード
- Sections, lists, figures, tables, mathematics, fonts, references, appendices
- 刊行年月日
- 2026-07-07
- 更新時刻
- 2026-07-08 16:54:06 +0900
Free Analysis and Visualization Programs for Electrochemical Impedance Spectroscopy Coded in Python
- ジャーナル論文
- 著者
-
KOBAYASHI, Kiyoshi (author) (この著者で検索)
;
SUZUKI, Tohru S. (author) (この著者で検索)
- キーワード
- model fitting, free software, electrochemical impedance, data visualization
- 刊行年月日
- 2021-03-05
- 更新時刻
- 2024-01-05 22:11:18 +0900
A design methodology of crystal growth furnace and process aided by two-step optimization using machine learning models and genetic algorithm
- ジャーナル論文
- 著者
-
;Hiroyuki Tanaka (author) (この著者で検索)Nagoya University a Graduate School of Engineering;Kentaro Kutsukake (author) (この著者で検索);Kota Asakura (author) (この著者で検索);Takuto Kojima (author) (この著者で検索);Xin Liu (author) (この著者で検索)Noritaka Usami (author) (この著者で検索)
- キーワード
- Optimization, machine learning, genetic algorithm, crystal growth, process informatics
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2026-02-27 12:30:07 +0900
Identification of microscopic structures in CFRP from X-ray CT based on topological data analysis
- ジャーナル論文
- 著者
-
;Xichan Gao (author) (この著者で検索)Tohoku University a The Advanced Institute for Materials Research (AIMR);Kazuto Akagi (author) (この著者で検索);Daiki Kido (author) (この著者で検索);Mayrene Uy (author) (この著者で検索)Masao Kimura (author) (この著者で検索)
- キーワード
- CFRP, fiber positions, crack, persistent homology, TDA, X-ray CT
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-11-06 12:30:15 +0900
Multi-objective optimization for designing structurally similar proteins with dissimilar sequences
- ジャーナル論文
- 著者
-
;Ryo Akiba (author) (この著者で検索)Institute of Science Tokyo a School of Life Science and Technology;Yoshitaka Moriwaki (author) (この著者で検索);Ryuichiro Ishitani (author) (この著者で検索)Naruki Yoshikawa (author) (この著者で検索)
- キーワード
- Protein design, multi-objective optimization, generative AI
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-02-03 15:05:41 +0900
Machine extraction of polymer data from tables using XML versions of scientific articles
- データセット
- 著者
-
;YOSHIZAWA, Atsushi (author) (この著者で検索)ISHII, Masashi (author) (この著者で検索)
;
SHINDO, Hiroyuki (author) (この著者で検索)
https://orcid.org/0000-0003-1081-9194
(unauthenticated)
;
OKA, Hiroyuki (author) (この著者で検索)
;
MATSUMOTO, Yuji (author) (この著者で検索)
https://orcid.org/0000-0003-4946-9574
(unauthenticated)
- キーワード
- polymer data, table, machine extraction, informatics, XML
- 刊行年月日
- 2021-01-01
- 更新時刻
- 2024-06-21 15:45:49 +0900
Reference compositions for bismuth telluride thermoelectric materials for low-temperature power generation
- ジャーナル論文
- 著者
-
;Nirma Kumari (author) (この著者で検索)Korea Electrotechnology Research Institute (KERI) a Energy Conversion Research Center, Electrical Materials Division;Jaywan Chung (author) (この著者で検索);Seunghyun Oh (author) (この著者で検索);Jeongin Jang (author) (この著者で検索);Jongho Park (author) (この著者で検索);Ji Hui Son (author) (この著者で検索);SuDong Park (author) (この著者で検索)Byungki Ryu (author) (この著者で検索)
- キーワード
- Reference composition, Thermoelectric, Bi0.46Sb1.54Te3, Bi2Te2.7Se0.3, BiTe system, Data-Driven
- 刊行年月日
- 2025-12-31
- 更新時刻
- 2025-11-13 08:30:20 +0900