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Aayush R Singh

3PUBLICATIONS

7CO-AUTHORS

Computational chemistryTheoretical quantum chemistryMain group metal chemistry

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Publications (3)

Sort by Publication Date:

|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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Frequent Collaborators

2 joint publications

Thomas Ludwig

2 joint publications

Jens K Nørskov

1 joint publications

Elizabeth M Y Lee

1 joint publications

Boyuan Yu

1 joint publications

François Gygi

1 joint publications

Juan J de Pablo

1 joint publications

Joseph A Gauthier

Frequent Collaborators

2 joint publications

Thomas Ludwig

2 joint publications

Jens K Nørskov

1 joint publications

Elizabeth M Y Lee

1 joint publications

Boyuan Yu

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