Ana Silveira

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani et al. · Journal of Chemical Theory and Computation · 2020 · 19 citations · Full text

Natural Sciences, Chemistry, Physics +17

Performance and Analysis of the Alchemical Transfer Method for Binding-Free-Energy Predictions of Diverse Ligands

Lieyang Chen, Yujie Wu, Chuanjie Wu et al. · Journal of Chemical Information and Modeling · 2023 · 15 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES

Filipe Arantes Furtado, Ana Silveira, Charlles R. A. Abreu et al. · Brazilian Journal of Chemical Engineering · 2015 · 13 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +12

A molecular dynamics study of the solvation of carbon dioxide and other compounds in the ionic liquids [emim][B(CN)4] and [emim][NTf2]

Ana Silveira, Selva Pereda, Frederico W. Tavares et al. · Fluid Phase Equilibria · 2019 · 13 citations · Full text

Natural Sciences, Chemistry, Physics +17

Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water

Ana Silveira, Charlles R. A. Abreu · The Journal of Chemical Physics · 2017 · 10 citations

Natural Sciences, Chemistry, Physics +17