Computational Chemist, Data Dabbler, Book Reviewer.
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University of Otago
- New Zealand
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08:31
(UTC -12:00)
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LOCH-E
LOCH-E PublicLoch-E is a research tool for modelling pressure–composition–isotherm (PCI) behaviour of FeTiHₓ hydrides using ab initio energetics and explicit entropy contributions.
Python
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