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Filtering by: Keyword atomic simulation Keyword First-principles calculation

Description/Abstract:: Template Oriented Atomic Simulation Toolkit (TOAST) is a python-based automated framework for high-throughput electronic structure calcul...
Keyword:: CompES-X, First-principles calculation, atomic simulation, and toolkit
Resource Type:: Dataset
Data origin:: simulations
Author:: ARAI, Masao and XU, Yibin
Date Uploaded:: 11/11/2020
Date Modified:: 20/11/2020

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