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Search results for abinitio simulations
abinitio-simulations
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4 search results found
Vaspgibbs
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21
A simple way to calculate Gibbs free energy from Vasp calculations
Express.jl
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21
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Pycrystal
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9
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Aiida Orca
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7
AiiDA Plugin for ORCA
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