News
Aditya and Daniel’s paper on transferable representations for 3d to 4d ML has been accepted in J. Chem. Phys.. It will appear in the upcoming special issue “Chemical Design by Artificial Intelligence” we are guest editing with Dan Ess and Kim Jelfs! Check it out here!
Aditya and Gianmarco’s paper on the MOFSimplify web interface and data set was accepted in Sci. Data! Check it out here!
Akash (Ph.D. ‘21)’s paper on improving properties of transition metal oxides was accepted in JCTC! Check it out here!
Daniel’s paper on predicting water oxidation catalyst activity was published in Inorg. Chem.! Check it out here!
Aditya and Chenru’s Current Opinion in Chemical Engineering article has been published! Check it out here!