News

Alexis will use this funding to push the LOHC-powered engine towards commercialization.

The article “Revisiting a Large and Diverse Data Set for Barrier Heights and Reaction Energies: Best Practices in Density Functional Theory Calculations for Chemical Kinetics”, https://dx.doi.org/10.1039/D5CP01181G , has been selected as a 2025 HOT PCCP article.

Jonathan was awarded Honorable Mention in the 2025 SERC Envisioning the Future of Computing Prize contest. His essay discussed the importance & societal impacts of autonomous chemistry labs.

The article “Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software” has been named a “Top Viewed Article” by the International Journal of Chemical Kinetics.

The article was added to a specially curated collection that highlights some of the most popular articles from 2024 in the fields of physical, theoretical and computational, and biophysical chemistry.

Jonathan Zheng’s work, which uncovered incorrect pKa values in chemical databases, was featured in the Chemistry World article titled “Incorrect pKa values have slipped into chemical databases and could distort drug design”.

The article, which will be published in Journal of Chemical Information and Modeling, was selected for this honor based on its potential for broad public interest. As part of the ACS Editors’ Choice program, the article will be freely available for a promotional period of six months.

Kariana has been named a member of the Society of Energy Fellows, with funding for the 2024-2025 academic year.

Julian Ufert and Akshat Zalte will be receiving Mathworks Fellowships for the 2024-2025 academic year.

His “prolific publication record, the high impact of his work, and the outstanding quality of his scholarly contributions,” have placed him in the top 0.05% of all scholars worldwide, by their accounting.