| Ideal conductor model: an analytical finite-size correction for nonequilibrium molecular dynamics simulations of ion transport through nanoporous membranes BA Shoemaker, TS Domingues, A Haji-Akbari Journal of Chemical Theory and Computation 18 (12), 7142-7154, 2022 | 5 | 2022 |
| Robust estimation of position-dependent anisotropic diffusivity tensors from stochastic trajectories TS Domingues, RR Coifman, A Haji-Akbari The Journal of Physical Chemistry B 127 (23), 5273-5287, 2023 | 3 | 2023 |
| Divergence among Local Structure, Dynamics, and Nucleation Outcome in Heterogeneous Nucleation of Close-Packed Crystals TS Domingues, S Hussain, A Haji-Akbari The Journal of Physical Chemistry Letters 15 (5), 1279-1287, 2024 | 2 | 2024 |
| Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories TS Domingues, RR Coifman, A Haji-Akbari The Journal of Physical Chemistry B 127 (40), 8644-8659, 2023 | 2 | 2023 |
| Effect of Pressure on the Conformational Landscape of Human γD-Crystallin from Replica Exchange Molecular Dynamics Simulations A Kacirani, B Uralcan, TS Domingues, A Haji-Akbari The Journal of Physical Chemistry B 128 (20), 4931-4942, 2024 | 1 | 2024 |
| Estimating position-dependent and anisotropic diffusivity tensors from molecular dynamics trajectories: Existing methods and future outlook TS Domingues, R Coifman, A Haji-Akbari Journal of Chemical Theory and Computation, 2024 | | 2024 |
| Far and Few in between: Probing Structure-Selectivity Relationship in Membranes Using Path Sampling Techniques A Haji-Akbari, B Shoemaker, H Malmir, T Domingues, O Khalifa 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Optimal Reaction Coordinates for Heterogeneous Nucleation of Densely Packed Atomic and Colloidal Crystals T Domingues, S Hussain, A Haji-Akbari 2022 AIChE Annual Meeting, 2022 | | 2022 |
| How to Quantify Spatial Variations in Diffusivity in Molecular Dynamics Simulations. T Domingues, R Coifman, A Haji-Akbari 2022 AIChE Annual Meeting, 2022 | | 2022 |
