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Journal of Chemical Theory and Computation|October 3, 2022
A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free EnergiesGabriela B Correa, Jéssica C S L Maciel, Frederico W Tavares, et al.The Journal of Chemical Physics|September 11, 2023
Revisiting the pseudo-supercritical path method: An improved formulation for the alchemical calculation of solid-liquid coexistenceGabriela B Correa, Yong Zhang, Charlles R A Abreu, et al.The Journal of Physical Chemistry Letters|November 18, 2024
Assessing Melting and Solid-Solid Transition Properties of Choline Chloride via Molecular Dynamics SimulationsGabriela B Correa, Dinis O Abranches, Eliseo Marin-Rimoldi, et al.Journal of Chemical Theory and Computation|November 19, 2025
Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular DynamicsGabriela B Correa, Stefanos Konstantinopoulos, Benjamin I Tan, et al.Pageof 1