Haoyang Wu

10PUBLICATIONS
39CO-AUTHORS
Computational chemistryFormal methods for softwareTheoretical quantum chemistryChemical and thermal processes in energy and combustionChemical thermodynamics and energetics
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Publications (10)

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

|Dec 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction.

David E Graff, Nathan K Morgan, Jackson W Burns

|Apr 20, 2025
Toward Accurate Quantum Mechanical Thermochemistry: (2) Optimal Methods for Enthalpy Calculations from Comprehensive Benchmarks of 284 Model Chemistries.

Haoyang Wu, Anna C Doner, Hao-Wei Pang

|Dec 03, 2024
Integrating Machine Learning and Large Language Models to Advance Exploration of Electrochemical Reactions.

Zhiling Zheng, Federico Florit, Brooke Jin

|Aug 06, 2024
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?

Shih-Cheng Li, Haoyang Wu, Angiras Menon

|May 16, 2024
Toward Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions.

Haoyang Wu, A Mark Payne, Hao-Wei Pang

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Frequent Collaborators

10 joint publications

William H Green

4 joint publications

Shih-Cheng Li

3 joint publications

Yunsie Chung

3 joint publications

Hao-Wei Pang