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John R Kitchin

2PUBLICATIONS

0CO-AUTHORS

Computational chemistryChemical and thermal processes in energy and combustion

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Publications (2)

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|Jul 09, 2021

Machine-learning accelerated geometry optimization in molecular simulation.

Yilin Yang, Omar A Jiménez-Negrón, John R Kitchin

|Apr 09, 2021

Semi-grand canonical Monte Carlo simulation of the acrolein induced surface segregation and aggregation of AgPd with machine learning surrogate models.

Mingjie Liu, Yilin Yang, John R Kitchin

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