Chenru defends his Ph.D. thesis on autonomous computational chemistry. Congratulations Dr. Duan!
Chenru presents a contributd talk on the DFA recommender to the ICML AI4Science Workshop!
Shuwen presents a poster at FOMMS in Delavan, WI on selective ion separation via high-throughput screening and wins a poster award!
Chenru’s paper on the additivity of multireference character has been accepted in JCTC!
Chenru’s paper on neural networks that predict and avoid failed calculations in computational catalysis is published in JCTC! Check it out here!
Aditya, Husain, David, Vyshnavi, and co’s perspective on the range of catalysts from enzymes to heterogeneous catalysts for C-H bond activation has been accepted in ACS Catalysis!
Chenru’s work on machine learning to recommend density functionals is accepted as an oral presentation in the ICML AI4Science workshop!
Azi’s collaborative work on glycyl radical enzymes with the Balskus lab is accepted in JACS! Check the manuscript out here!
Yael’s paper on the additivity of delocalization error is accepted in J. Phys. Chem. Lett.! Check it out here!