Wenhao Gao

91PUBLICATIONS
193CO-AUTHORS
Computational chemistryReaction engineering (excl. nuclear reactions)Biomolecular modelling and designGroundwater quality processes and contaminated land assessmentPolymers and plastics
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Publications (91)

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

|Jun 24, 2026
Pathway-Aware Template-Based Retrosynthesis.

|Jun 15, 2026
Quantifying the failure modes of current one-step retrosynthesis models.

|May 22, 2026
An overview of reaction outcome prediction with physics-based and data-driven methods.

|May 22, 2026
A machine learning-based workflow for transaminase selection.

|Apr 21, 2026
Hydrolysis Reaction Rate Prediction Using Machine Learning: WaterDRoP.

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