Shuhao Zhang

3PUBLICATIONS
9CO-AUTHORS
Process control and simulationTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (3)

|Oct 07, 2026
AIMNet2-rxn: A machine-learned potential for generalized reaction modeling on a millions-of-pathways scale.

|Apr 29, 2025
Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry.

Shuhao Zhang, Michael Chigaev, Olexandr Isayev

|Apr 24, 2025
ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules.

Shuhao Zhang, Roman Zubatyuk, Yinuo Yang

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Frequent Collaborators

3 joint publications

Olexandr Isayev

2 joint publications

Roman Zubatyuk

1 joint publications

Adrian Roitberg

1 joint publications

Richard A Messerly