5 records found.
Benchmark Dataset used in the paper "Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique"
- Dataset
- Creator
-
Kosuke Nakano
;
Stefano Battaglia
;
Jürg Hutter
- Keyword
- Variational Monte Carlo, Atomic forces, rMD17
- Date published
- Updated at
- 2026-01-28 08:30:04 +0900
Hydrogen Equation of State with SCAN-VV10
- Dataset
- Creator
-
Cesare Cozza
;
Kousuke Nakano
;
Saburo Howard
;
Hao Xie
;
Ravit Helled
;
Guglielmo Mazzola
- Keyword
- Hydrogen, Equation of State, DFT, SCAN-VV10
- Date published
- Updated at
- 2026-01-20 08:34:18 +0900
HeuslerDB_elecBand_ver1.0
- Dataset
- Creator
-
Terumasa Tadano
- Keyword
- Heusler alloys, Density functional theory, Band structure
- Date published
- 2025-07-16
- Updated at
- 2025-10-06 16:30:11 +0900
HeuslerDB_elecDOS_ver1.0
- Dataset
- Creator
-
Terumasa Tadano
- Keyword
- Heusler alloys
- Date published
- 2025-07-16
- Updated at
- 2025-10-06 16:30:20 +0900
Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
- Dataset
- Creator
-
NAKANO, Kosuke
;
Oto Kohulák
;
Abhishek Raghav
;
Michele Casula
;
Sandro Sorella
- Keyword
- Ab initio Quantum Monte Carlo, High-throughput calculations, TurboRVB, TurboGenius
- Date published
- Updated at
- 2023-11-15 15:38:36 +0900