News

Two Green group articles are featured in the J.Phys.Chem.’s Virtual Special Issue on Machine Learning in Physical Chemistry, namely the article “Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach” by Colin A. Grambow, Yi-Pei Li, and William H. Green, as well as the article “Deep Learning of Activation Energies” by Colin A. Grambow, Lagnajit Pattanaik, and William H. Green. Congrats!

Congratulations to Yunsie Chung for winning an MolSSI Fellowship to work on software for modeling kinetics in solution phase during the first half of 2021.

AIChE’s magazine Chemical Engineering Progress highlighted Prof. Green’s recent Perspective in the AIChE Journal (https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.17059) in its Nov. 2020 article “AIChE Journal Highlight: Moving from Postdictive to Predictive Kinetics in Reaction Engineering”

Green group research enabling predictive chemical kinetics is on the cover of the November issue of the AIChE Journal (https://aiche.onlinelibrary.wiley.com/doi/epdf/10.1002/aic.16656). Congrats!

Congratulations to Hao-Wei Pang for winning a Think Global Trust Fellowship that will start in summer 2021.

The autumn 2020 issue of MITEI’s magazine Energy Futures includes an article about recent Green group graduate Lisa Hsieh’s work calculating the costs and benefits of China’s policies supporting battery-powered cars.

The article “Generating transition states of isomerization reactions with deep learning” (https://doi.org/10.1039/D0CP04670A) authored by Lagnajit Pattanaik, John B. Ingraham, Colin A. Grambow and William H. Green was selected as “2020 Hot PCCP Article” by the editors.

Esther Heid has won three prizes for her PhD-thesis:

1. Karl Schloegl Award 2020 of the Austrian Academy of Sciences, which is given annually to two awardees for an outstanding doctoral thesis in the field of chemistry.
2. Award of Excellence 2020 by the Federal Ministry of the Republic of Austria for Education, Science and Research, which is given annually for the 40 best dissertations in all fields.
3. Loschmidt Award 2020 by the Chemical-Physical Society Vienna, given annually to an excellent doctoral thesis in the field of chemistry and physics each.

Congratulations!

The article “Temperature-dependent vapour-liquid equilibria and solvation free energy estimation from minimal data” (https://aiche.onlinelibrary.wiley.com/doi/10.1002/aic.16976) by Yunsie Chung, Ryan J. Gillis and William H. Green was the AIChE Journal’s Editor’s Choice paper from the June 2020 issue. The article describes a new strategy to estimate the temperature‐dependent vapor–liquid equilibria and solvation free energies of dilute neutral molecules based on only their estimated solvation energy and enthalpy at 298 K.

Esther Heid has won the Karl Schloegl Award 2020 of the Austrian Academy of Sciences. The award is given annually for an outstanding doctoral thesis in the field of chemistry undertaken at an Austrian university. Congratulations!