Yunsie Chung

8PUBLICATIONS
31CO-AUTHORS
Computational chemistryDeep learningChemical thermodynamics and energeticsReaction kinetics and dynamicsStatistical mechanics in chemistry
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Publications (8)

|Sep 06, 2026
QuantumPioneer: Scalable Generation of Quantum Chemical Data for Solution-Phase Hydrogen Transfer Reactions.

|Feb 16, 2024
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates.

Yunsie Chung, William H Green

|Dec 26, 2023
Chemprop: A Machine Learning Package for Chemical Property Prediction.

Esther Heid, Kevin P Greenman, Yunsie Chung

|Jul 24, 2023
Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning.

Sayandeep Biswas, Yunsie Chung, Josephine Ramirez

|Jun 28, 2023
Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods.

Yunsie Chung, William H Green

|Oct 12, 2022
RMG Database for Chemical Property Prediction.

Matthew S Johnson, Xiaorui Dong, Alon Grinberg Dana

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Frequent Collaborators

8 joint publications

William H Green

3 joint publications

Haoyang Wu

2 joint publications

Florence H Vermeire

1 joint publications

Michael H Abraham