the Kulik Group
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kulikgroup.bsky.social
the Kulik Group
@kulikgroup.bsky.social
An 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
Reposted by the Kulik Group
One reason why it is great to be back to the #EditorsLife:
The latest, fresh-off-the-press article by (the one and only) @kulikgroup.bsky.social in #MachineLearningScienceandTechnology has been accepted for publication 🎉
Read it here: iopscience.iop.org/article/10.1... 1/2
Many-body expansion based machine learning models for octahedral transition metal complexes - IOPscienceSearch
Many-body expansion based machine learning models for octahedral transition metal complexes, Ralf Meyer, Daniel B K Chu, Heather J Kulik
iopscience.iop.org
January 6, 2025 at 8:28 PM
Reposted by the Kulik Group
Check out our newest work on designing MOFs for amide bond catalysis (ABC), now out in JACS! Congrats to Bayu, Ron, and Zoe and our collaborators, Changwan and Yeongsu from @kulikgroup.bsky.social and the Lambert group! #MOFganic #FirstPost #DoesBlueSkyDoHashtags

pubs.acs.org/doi/full/10....
Defect-Engineered Metal–Organic Frameworks as Bioinspired Heterogeneous Catalysts for Amide Bond Formation
The synthesis of amides from amines and carboxylic acids is the most widely carried out reaction in medicinal chemistry. Yet, most amide couplings are still conducted using stoichiometric reagents, le...
pubs.acs.org
December 4, 2024 at 5:52 PM