Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles

João Paulo A. de Mendonça, Felipe V. Calderan, Tuanan C. Lourenço, Marcos G. Quiles, Juarez L. F. Da Silva. Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles. Journal of Chemical Information and Computer Sciences, 62(22):5503-5512, 2022. [doi]

Abstract

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