News

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.

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!

Oscar Haoyang Wu has won a MolSSI Fellowship. He will be working on developing open-source, self-improving software that automatically predicts the chemical stability and models the radical oxidative degradation kinetics of active pharmaceutical ingredients in the solution. Congratulations!

Lisa Hsieh’s work on battery price projection is mentioned in a Letter published in The Economist (May 23 edition). The study models the practical lower bounds on battery prices set by materials cost and suggests government interventions (subsidies, gas taxes, and mandates) are needed if electric vehicles are to compete with gas-powered ones in the next decade. The original paper can be found here.