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Patel, R and Addula, RKR and Shaik, M and Punnathanam, SN (2022) Computing contact angles for oil-water-rock systems via thermodynamic integration. In: Journal of Chemical Physics, 157 (13).
Addula, RKR and Punnathanam, SN (2021) Molecular Theory of Nucleation from Dilute Phases: Formulation and Application to Lennard-Jones Vapor. In: Physical Review Letters, 126 (14).
Addula, RKR and Punnathanam, SN (2020) Computation of solid-fluid interfacial free energy in molecular systems using thermodynamic integration. In: Journal of Chemical Physics, 153 (15).
