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!
Azi’s paper is accepted in J. Phys. Chem. B and she accepts a job at Pfizer! Best of luck, Azi! Check the manuscript out here!
Congratulations to Aditya on receiving the ACS COMP CCG Graduate Excellence Award!
Congratulations to Isuru on the acceptance of his paper on HfO and HfB bonding in J Chem Phys as part of the special issue on the chemical bond! Check it out here!
Congratulations to Akash on the acceptance of his paper about jmDFT for transition metal complexes in J Chem Phys! Check it out here!