News

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
MONET perspective to appear in Macromolecules

Congratulations to Ilia (PD ‘25), Xiao, and the MONET team for the acceptance of a perspective highlighting some of the group’s work in Macromolecules!
Nov 19, 2025
Husain receives CoMSEF student award

Congratulations to Husain Adamji for winning a Graduate Student Award in Computational Molecular Science and Engineering!
Nov 5, 2025
Weiliang wins poster award at SMLQC

Congratulations to Weiliamg Luo for winning the ChemPhysChem poster award at SMLQC!
Oct 8, 2025
Ilia's collaboration with Johnson Lab in Nature Chemistry

Congratulations to Ilia (PD ‘25) on the acceptance of his collaborative work with the Johnson lab on tetrafunctional junctions in Nature Chemistry!
Sep 26, 2025
David Kastner graduates

Congratulations to David Kastner, the group’s latest doctor! He successfully defended his thesis “Blueprints of reactivity in high-valent iron containing enzymes”.
Sep 22, 2025
David Kastner graduates
Heather's perspective in APL Computational Physics

Heather’s perspective has been accepted in APL Computational physics.
Sep 13, 2025