Department News

Leibfarth and Isayev win Phase 1 of NSIN AFRL Active AI Planners for Chemistry/Materials Optimization and Discovery Grand Challenge

A team of collaborators from Carnegie Mellon University and the University of North Carolina at Chapel Hill won Phase 1 of the National Security Innovation Network (NSIN)-sponsored Air Force Research Laboratory (AFRL) Active AI Planners for Chemistry/Materials Optimization and Discovery Grand Challenge.

Kanai Group research featured in Physical Review Letters

This week’s issue of Physical Review Letters (PRL) features the article “Electronic Excitation Response of DNA to High-energy Proton Radiation in Water” by Chris Shepard, Dr. Dillon Yost, and Professor Yosuke Kanai.

Welcome to new faculty member Elisa Pieri

Welcome our newest faculty member, Elisa Pieri.

A Crystal Ball for Chemistry

Jack Sundberg has created a software to help chemists uncover the best materials for their experiments — a potential game-changer for minimizing time and costs.


Organosulfate Formation in Proxies for Aged Sea Spray Aerosol: Reactive Uptake of Isoprene Epoxydiols to Acidic Sodium Sulfate

Herein, we demonstrate that substantial SOA, including organosulfates, are formed on acidic sodium sulfate particles (pH = 1.4 ± 0.1) via controlled laboratory experiments.

Development and Applications of the Density-Based Theory of Chemical Reactivity

In this Perspective, we at first provide an overview of the four pathways currently available in the literature to tackle the matter, including orbital-free density functional theory, conceptual density functional theory, direct use of density-associated quantities, and the information-theoretic approach. Then, we highlight several recent advances of employing these approaches to realize new understandings for chemical concepts such as covalent bonding, noncovalent interactions, cooperation, frustration, homochirality, chirality hierarchy, electrophilicity, nucleophilicity, regioselectivity, and stereoselectivity.

Enzymatic Macrolactamization of mRNA Display Libraries for Inhibitor Selection

Here, we report the evaluation and implementation of the common industrial enzyme, microbial transglutaminase (mTG), as a versatile biocatalyst for cyclization of mRNA display peptide libraries via lysine-to-glutamine isopeptide bonds.

Aqueous Photoelectrochemical CO2 Reduction to CO and Methanol over a Silicon Photocathode Functionalized with a Cobalt Phthalocyanine Molecular Catalyst

This work puts forth a strategy for interfacing molecular catalysts to p-type semiconductors and demonstrates state-of-the-art performance for photoelectrochemical CO2 reduction to CO and methanol.

Privacy Preferences
When you visit our website, it may store information through your browser from specific services, usually in form of cookies. Here you can change your privacy preferences. Please note that blocking some types of cookies may impact your experience on our website and the services we offer.