Green Research Group

Bill was recognized for “visionary leadership in developing-cutting edge computational tools that have reshaped the prediction of combustion chemistry and the handling of large kinetic mechanisms.”

The paper “Chemprop: A Machine Learning Package for Chemical Property Prediction” has been highlighted as one of the highly-cited articles from the Journal of Chemical Information Modeling (JCIM) in 2023-2024.

Green group alumna Esther Heid, now  a professor at the Technical University of Vienna, has been admitted to the Austrian Academy of Sciences’ “Young Academy”.

The paper “Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction” worked on by many Green Group members has been highlighted as one of the most-downloaded recent articles from the Journal of Chemical Information Modeling (JCIM).

Jonathan Zheng has won one of the 7 Open Data awards, for his work with Prof. Ivo Leito (Tartu, Estonia) and Prof. Green identifying a major problem in many pKa databases. Jackson Burns has won one of the 7 Open Data awards, for his work with Lucas Attia, Prof. Doyle, and Prof. Green to develop […]

The paper “A Comprehensive Costing and Emissions Analysis of Blue, Green, and Combined Blue-Green Ammonia Production” by Sayandeep Biswas, Angiras Menon, Randall Field, Guiyan Zang and Prof. Green, published in Energy & Fuels, is an ACS Editors’ Choice paper, and also one of the most downloaded Energy & Fuels papers this year.

Green group alumnus David J. Couling PhD ‘12 of Corteva Agriscience has won the 2025 AIChE Industrial Progress Award, “for consistently coupling exceptional technical innovation with exemplary collaboration to develop sustainable processes crucial to the successful launch of new agricultural products with global impact.” The award ceremony will be at the AIChE National Meeting on […]

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.

Temujin Orkhon was awarded the top prize in the ChemE UROP poster contest for their project titled, “Uncertainty Improves Multi-Fidelity Machine Learning,” co-authored by PhD candidate Kevin Greenman, Prof. Bill Green and Prof. Rafael Gomez-Bombarelli.

Anna Doner will be awarded a 2024 Bernard Lewis Fellowship at the Combustion Institute’s 40th International Symposium in Milan, Italy, in July 2024.

A paper written by Connor Coley when he was a student in the Jensen and Green groups, and co-authored by many others including former Green group member Pieter Plehiers, will be awarded the 2024 Frontiers of Science Award in Theoretical Computer and Information Sciences this summer, at the International Congress of Basic Science. Connor W. Coley, […]

Sharada Navada, who was an undergraduate researcher in Green group the summer of 2011, has been appointed Associate Professor at NTNU in Trondheim, Norway. Congratulations to Sharada!

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software by Alon Grinberg Dana et al. was selected as Reader’s Choice paper from the International Journal of Chemical Kinetics.

Sayandeep and Kariana’s analysis of a low-greenhouse alternative powertrain for long-haul trucking was published as the cover article in the Energy & Fuels (vol. 37 issue 22)

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

2022 Award Announcement