the Kulik Groupさんのイラストまとめ
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Inorganic Design, Computational Chemistry, Machine Learning, and Enzyme Catalysis Research Group in Chemical Engineering at MIT. Led by Prof. Heather J. Kulik
hjkgrp.mit.eduフォロー数：433 フォロワー数：3734
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How do we know when it is safe to calculate the properties of a transition-metal complex with DFT? @FangLiu_ustc and @chenru_duan calculated finite-temperature DFT MR diagnostics for a large library of TMCs and trained a machine learning model to help!
https://t.co/x6pGCqvw5D
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