News

Welcome to New Members!

A belated welcome to Hongqian Zheng who joins us as a visiting student from USTC, along with new postdocs Clorice Reinhardt (Ph.D. Yale, Hammes-Schiffer) and Matt Rivera (Ph.D. Georgia Tech, Lively) who joins us via the inaugural class of School of Engineering Postdoctoral Excellence Fellows.
Sep 1, 2022
Vyshnavi's paper published in Inorg. Chem.

Vyshnavi’s paper on engineering enzymatic selectivity has been published in Inorg. Chem.! Check it out here!

Aug 31, 2022
Aditya receives ACS CCG Graduate Excellence Award

Aditya receives a CCG Graduate Excellence award at ACS Chicago!
Aug 25, 2022
Chenru defends his Ph.D.

Chenru defends his Ph.D. thesis on autonomous computational chemistry. Congratulations Dr. Duan!
Jul 29, 2022
Chenru gives an oral talk at ICML

Chenru presents a contributd talk on the DFA recommender to the ICML AI4Science Workshop!
Jul 23, 2022
Shuwen receives Poster Award at FOMMS

Shuwen receives a poster award for her research presented at FOMMS!
Jul 21, 2022
Chenru's paper accepted in JCTC

Chenru’s paper on the additivity of multireference character has been accepted in JCTC! Check it out here!

Jun 29, 2022
Chenru's paper published 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!

Jun 23, 2022
The group's perspective is accepted in ACS Catalysis

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! Check it out here!

Jun 15, 2022
Chenru's work accepted in ICML workshop

Chenru’s work on machine learning to recommend density functionals is accepted as an oral presentation in the ICML AI4Science workshop!
Jun 14, 2022