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
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Kosuke Nakano (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials (CBRM)
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;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
First‑Principles Optical Dielectric Properties of NiAl (Space Group 221)
- データセット
- 著者
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Thien Duc Ngo (author) (この著者で検索)National Institute for Materials Science Research Center for Materials Nanoarchitectonics
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;Hai Dang Tran (author) (この著者で検索)National Institute for Materials Science Research Center for Materials Nanoarchitectonics;Toan Phuoc Tran (author) (この著者で検索)National Institute for Materials Science Research Center for Materials Nanoarchitectonics;Hiroshi Harada (author) (この著者で検索)National Institute for Materials ScienceTadaaki Nagao (author) (この著者で検索)National Institute for Materials Science Research Center for Materials Nanoarchitectonics
- キーワード
- high-temperature superalloys, intermetallics, nickel–aluminum, thermal emitters, thermophotonics
- 刊行年月日
- 2025-03-11
- 更新時刻
- 2026-06-12 10:30:08 +0900