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Michele Casula
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Oto Kohulák
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Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods
Description/Abstract:
The TREXIO files used for the validation tests in the paper entitled TurboGenius: Python suite for high-throughput calculations of ab ini...
Keyword:
Ab initio Quantum Monte Carlo
,
High-throughput calculations
,
TurboGenius
, and
TurboRVB
Resource Type:
Dataset
Data origin:
simulations
Author:
NAKANO, Kosuke
,
Oto Kohulák
,
Abhishek Raghav
,
Michele Casula
, and
Sandro Sorella
Date Uploaded:
16/11/2023
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Type of work
Dataset
1
Keyword
Ab initio Quantum Monte Carlo
1
High-throughput calculations
1
TurboGenius
1
TurboRVB
1
Publisher
National Institute for Materials Science
1
Resource type
Dataset
1
Visibility
open
1
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
1
Data origin
simulations
1
Author
Abhishek Raghav
1
Michele Casula
[remove]
1
NAKANO, Kosuke
1
Oto Kohulák
[remove]
1
Sandro Sorella
1
Funder
Japan Society for the Promotion of Science (JSPS)
1
RIKEN
1
Software
TREXIO
1
