News

Welcome to Samir Darouich, a visiting PhD Student from U. Stuttgart with Prof. Kastner. Samir will be working on generative models for transition state prediction. Also welcome Giorgia Brosio, who joins us from Italy Institute of Technology with Prof. De Vivo. She is working on machine learned interatomic potentials.

Welcome to Prof. Hongliang Xin who joins us for his sabbatical from Virginia Tech!

Congratulations to David Kastner on the acceptance of his collaborative work with the Weng Lab (now at BU) on the evolution of DAH, an Fe(II)-aKG dependent plant halogenase in Science Advances! Read more about it here!

Congratulations to Ilia Kevlishvili on the acceptance of his manuscript on designing ferrocene mechanophores for polymer mechanochemistry with validation by the Craig lab at Duke in ACS Central Science! Read more about it here!

Congratulations to Weiliang Luo for the acceptance of his collaborative work with the Head-Gordon lab on perturbative methods for non-covalent interactions in JCTC! Read more about it here!

Congratulations to David Kastner (and Clorice Reinhardt) on the acceptance of their paper on the mechanism of DMFase in ACS Catalysis! Read more about it here!

Huge congratulations to Weiliang Luo for receiving a MolSSI Software Fellowship! Read more about it here!

Congratulations to Allison Keys on the acceptance of her study on understanding the role of CH−π interactions in protein–carbohydrate bonding in JBC! Read more about it here!