Publications by authors named "Rodrigo Wang"

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Breaking down per- and polyfluoroalkyl substances (PFAS): tackling multitudes of correlated electrons.
Alan E Rask, Lee Huntington, SungYeon Kim, David Walker, Andrew Wildman, Rodrigo Wang

Chem Sci· October 2025

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Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine Learning.
Amit Kadan, Kevin Ryczko, Andrew Wildman, Rodrigo Wang, Adrian Roitberg

J Chem Theory Comput· December 2023

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The fourth-order expansion of the exchange hole and neural networks to construct exchange-correlation functionals.
Etienne Cuierrier, Pierre-Olivier Roy, Rodrigo Wang, Matthias Ernzerhof

J Chem Phys· November 2022

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Construction of self-interaction-corrected exchange-correlation functionals within the correlation factor approach.
Rodrigo Wang, Yongxi Zhou, Matthias Ernzerhof

J Chem Phys· November 2019

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The correlation factor model for the exchange-correlation energy and its application to transition metal compounds.
Rodrigo Wang, Yongxi Zhou, Matthias Ernzerhof

J Chem Phys· February 2019

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