H. Mert Polat
Affiliations: | Process & Energy | Delft University of Technology, Delft, Zuid-Holland, Netherlands |
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| Habibi P, Polat HM, Blazquez S, et al. (2024) Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. The Journal of Physical Chemistry Letters. 15: 4477-4485 |
| Polat HM, de Meyer F, Houriez C, et al. (2023) Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software. Journal of Chemical Theory and Computation. 19: 2616-2629 |
| Wasik DO, Polat HM, Ramdin M, et al. (2022) Solubility of CO in Aqueous Formic Acid Solutions and the Effect of NaCl Addition: A Molecular Simulation Study. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 126: 19424-19434 |
| Salehi HS, Polat HM, de Meyer F, et al. (2021) Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation. The Journal of Chemical Physics. 155: 114504 |
| Polat HM, Salehi HS, Hens R, et al. (2021) New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of Chemical Information and Modeling |