
Oren Elishav
@oelishav
ID: 1266646119800545280
30-05-2020 08:22:41
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🚨New preprint alert School of Chemistry, Tel Aviv University Tel Aviv University🚨 "Collective Variables for Conformational Polymorphism in Molecular Crystals" arxiv.org/abs/2211.07746 tl;dr - local, molecular CVs can drive global phase transitions of conformational polymorphism in MD sims of molecular crystals!


My brilliant postdoc Yotam Feldman (soon a Schmidt Science Fellows) just published his first paper with us. 🥳 He reduced the complexity of bosonic PIMD from cubic to quadratic, resulting in simulations that are orders of magnitude faster! 😱 How? Read below! (1/11) doi.org/10.48550/arXiv…