LRDMC Benchmark Dataset for Noncovalent Interaction Systems
- 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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;Benjamin X. Shi (author) (この著者で検索)Flatiron Institute Initiative for Computational Catalysis;Dario Alfè (author) (この著者で検索)Università di Napoli Federico II Dipartimento di Fisica Ettore PanciniAndrea Zen (author) (この著者で検索)Università di Napoli Federico II Dipartimento di Fisica Ettore Pancini - キーワード
- Diffusion Monte Carlo, Noncovalent Interaction Systems, TurboRVB
- 刊行年月日
- 更新時刻
- 2026-09-03 13:56:17 +0900
Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
- データセット
- 著者
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NAKANO, Kosuke (author) (この著者で検索)National Institute for Materials Science (NIMS) Center for Basic Research on Materials
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;Oto Kohulák (author) (この著者で検索)International School for Advanced Studies (SISSA);Abhishek Raghav (author) (この著者で検索)International School for Advanced Studies (SISSA);Michele Casula (author) (この著者で検索)Sorbonne Université Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)Sandro Sorella (author) (この著者で検索)International School for Advanced Studies (SISSA) - キーワード
- Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
- 刊行年月日
- 更新時刻
- 2023-11-15 15:38:36 +0900