News

Charles “Chas” McGill joins the department of Chemical and Life Science Engineering at VCU as an assistant professor!

Congrats Chas!

These two Green group articles were recognized as Top-Cited Articles in the International Journal of Chemical Kinetics during the two year period 2020-2021:

Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Congratulations to all the authors!

Recent Green group paper, led by graduate student Lucky, was featured in MIT News! The work describes a machine learning method to quickly generate low-energy conformer ensembles. The paper was also named a spotlight paper at the 2021 NeurIPS conference as one of the top 3% of all submitted papers. Read the paper here.

Congratulations Lucky and team!

Green group alumnus Michael Harper has joined the Milwaukee Brewers as a senior analyst, fulfilling his dream of making a career in baseball data analytics.

Congratulations Michael!

Recent Green group visitor Gianmaria Pio will join the faculty at the University of Bologna.

Congratulations Gianmaria!

Recent Green group postdoc Florence Vermeire will join the Chemical Engineering faculty of the University of Leuven.

Congratulations Florence!

Esther’s recent paper detailing the use of condensed graph representations of reactions in deep learning architectures was named one of 5 most popular articles by JCIM! Read her paper here.

Congratulations Esther!

Three papers from the Green group have been honored as among the most highly cited papers in the International Journal of Chemical Kinetics over the past five years, and are republished in a Special Issue of the journal:

• Temperature- and Pressure-Dependent Kinetics of CH2OO + CH3COCH3 and CH2OO + CH3CHO: Direct Measurements and Theoretical Analysis
• Perspective on Mechanism Development and Structure-Activity Relationships for Gas-Phase Atmospheric Chemistry
• An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation

Congratulations!

Congratulations to Lagnajit “Lucky” Pattanaik, the winner of a Takeda Fellowship which will provide his financial support and tuition for the 2021-2022 academic year.

The work of Awele Uwagwu, a former UROP in the Green Group, was recently highlighted in an MIT News article. He strives to accelerate the adoption solar energy to Nigeria, and has founded a startup developing software toward this aim. Congrats, and all the best for this important project!