Thiago J Pinheiro Dos Santos

Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields

F. Tavares, C. Abreu, B. Horta, 2019, The Journal of Supercritical Fluids.

Fick diffusion coefficients via molecular dynamics: An alternative approach in the Fourier domain

F. Tavares, C. Abreu, Thiago J Pinheiro Dos Santos, 2020, Journal of Molecular Liquids.

Predicting 1H NMR relaxation in Gd3+-aqua using molecular dynamics simulations.

G. Hirasaki, Walter G Chapman, D. Asthagiri, 2021, Physical chemistry chemical physics : PCCP.

Comment on "Calculation of Solid-Fluid Interfacial Free Energy with Consideration of Solid Deformation by Molecular Dynamics".

Walter G Chapman, D. Asthagiri, A. Valiya Parambathu, 2022, Journal of Physical Chemistry A.