Aayush R Singh

3PUBLICATIONS
7CO-AUTHORS
Computational chemistryTheoretical quantum chemistryMain group metal chemistry
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Publications (3)

|Mar 22, 2024
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models.

Nithin Lalith, Aayush R Singh, Joseph A Gauthier

|Mar 17, 2021
Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium.

Elizabeth M Y Lee, Thomas Ludwig, Boyuan Yu

|Nov 05, 2020
Acetonitrile Transition Metal Interfaces from First Principles.

Thomas Ludwig, Aayush R Singh, Jens K Nørskov

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