News

Giorgia departs

We bid farewell to Giorgia Brosio!
Feb 28, 2026
Fangzi's nanocage catalysis paper in Chem

Congratulations to Fangzi Liu on the acceptance of his manuscript on confinement catalysis in Chem! Reac more about it here!

Feb 26, 2026
Husain receives GRC Poster Award

Congratulations to Husain Adamji for winning a poster prize at the AI for Materials, Energy, and Chemical Sciences (AIMECS) GRC meeting!
Feb 19, 2026
molSimplify 2.0 paper in JCIM

Congratulations to many group members past and present who contributed to the development of molSimplify 2.0! The manuscript describing this work has been published in JCIM! Read more about it here!

Feb 3, 2026
Aaron's self-tuning functional paper in JCTC

Congratulations to Aaron Garrison on the acceptance of his manuscript on tuning HF exchange in DFT functionals through an ML recommender in JCTC!
Jan 27, 2026
Akash and Changhwan's MOF stability paper in J. Mater. Chem. A

Congratulations to Akash Ball and Changhwan Oh on the acceptance of their manuscript on generalizable machine learning models for predicting the mechanical stability of MOFs in Journal of Materials Chemistry A! Read more about it here!

Jan 15, 2026
Jacob's ligand hemilability paper in JACS

Congratulations to Jacob Toney on the acceptance of his manuscript on predicting ligand hemilability and generating mutliple plausible coordination modes for hemilabile complexes! Read more about it here!

Dec 5, 2025
Vyshnavi's collaboration with Balskus Lab in Science

Congratulations to Vyshnavi for the acceptance of her collaborative work on DNA-colibactin in Science magazine! Read more about it here!

Dec 4, 2025
Samir Darouich departs

We bid farewell to Samir Darouich, who heads back to the University of Stuttgart to finish his PhD in the Niepert/Kastner groups!
Nov 30, 2025
Husain's collaboration with Roman Lab in JACS

Congratulations to Husain on the publication of his collaborative work with the Roman lab on supported metathesis catalysis. Read more about it here!

Nov 19, 2025