Yinan Shu

47PUBLICATIONS
114CO-AUTHORS
Chemical thermodynamics and energeticsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterMathematical aspects of general relativityDeep learningReaction kinetics and dynamics
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Publications (47)

|Oct 27, 2026
Electronically Nonadiabatic Dynamics of O2 + O Collisions on Sixteen New Machine-Learned 3A″ Global Potential Energy Surfaces.

|Oct 23, 2026
ML26: New Ingredients for an Integral-Features Density Functional with Broad Chemical Accuracy.

|Aug 28, 2026
Convenient implementation of rung-3.5 density functionals in standard Gaussian-basis codes.

|Jun 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features.

|Jun 22, 2026
Nonadiabatic dynamics starting from reactant and transition state in luminol chemiluminescence.

|May 13, 2026
Dynamics of Electronically Inelastic and Reactive Collisions of O(1D) with N2 Based on Machine-Learned Coupled Potential Energy Surfaces.

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Frequent Collaborators

39 joint publications

Donald G Truhlar

11 joint publications

Zoltán Varga

10 joint publications

Linyao Zhang

9 joint publications

Dayou Zhang