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Search results for tight binding atomistic simulations
atomistic-simulations
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tight-binding
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4 search results found
Xtb
⭐
501
Semiempirical Extended Tight-Binding Program Package
Dftbplus
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294
DFTB+ general package for performing fast atomistic simulations
Crest
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138
CREST - A program for the automated exploration of low-energy molecular chemical space.
Atomistic Software
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14
Tracking citations of atomistic simulation engines
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1-4 of 4 search results
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