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43. Computational Investigations of Ion Selectivity in Capacitive Deionization from Electronic to Device Scales
Dogan A. H., Korkut A. S., Haji-Akbari A., Uralcan B. The Journal of Physical Chemistry Letters 0, 16
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42. Secondary Finite-Size Effects and Multibarrier Free Energy Landscapes in Molecular Simulations of Hindered Ion Transport
Khalifa O., Shoemaker B., Haji-Akbari, A. J. Phys. Chem. B (2025)
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41. The impact of hydration shell inclusion and chain exclusion in the efficacy of reaction coordinates for homogeneous and heterogeneous ice nucleation.
Sinaeian K., Haji-Akbari A. J. Chem. Phys. 162, 164102 (2025)
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40. A highly selective and energy efficient approach to boron removal overcomes the Achilles heel of seawater desalination
W. Pan, D. Roy, B. Uralcan, S. K. Patel, A. Iddya, E. Ahn, A. Haji-Akbari, J. Kamcev & M. Elimelech. Nature Water (2025) 3, p. 99–109
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39. Designing membranes with specific binding sites for selective ion separations
C. Violet, A. Ball, M. Heiranian, L. F. Villalobos, J. Zhang, B. Uralcan, H. Kulik, A. Haji-Akbari & M. Elimelech.
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38. Nanocrystal Assemblies: Current Advances and Open Problems
Bassani C.L., van Anders G., Banin U., Baranov D., Chen Q., Dijkstra M., Dimitriyev M.S., Efrati E., Faraudo J., Gang O., Gaston N., Golestanian R., G
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37. Estimating Position-Dependent and Anisotropic Diffusivity Tensors from MD Trajectories: Existing Methods and Future Outlook
Domingues T. S., Coifman R., Haji-Akbari, A. J. Chem. Theory Comput. (2024) 20, 11, 4427–4455.
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36. Effect of Pressure on the Conformational Landscape of Human γD-Crystallin
Kacirani A., Uralcan B., Domingues T. D., Haji-Akbari A. J. Phys. Chem. B (2024) 128, 20, 4931–4942.
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35. Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization
Escobedo F. A., Haji-Akbari, A., Sharma, S. J. Chem. Theory Comput. 2024, 20, 4, 1503–1504
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34. Divergence among Local Structure, Dynamics, and Nucleation Outcome in Heterogeneous Nucleation of Close-Packed Crystals
Domingues T. S, Hussain S., Haji-Akbari, A. J. Phys. Chem. Lett. (2024) 15, 5, 1279–1287.
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33. Ideal conductor/dielectric model (ICDM): A generalized technique to correct for finite-size effects in molecular simulations of hindered ion transport
Shoemaker B. A., Haji-Akbari A. J. Chem. Phys. (2024) 160: 024116.
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32. Correlations in Charged Multipore Systems: Implications for Enhancing Selectivity and Permeability in Nanoporous Membranes.
Shoemaker B. A., Khalifa O., Haji-Akbari A. ACS Nano (2024) 18, 2, 1420–1431.
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31. Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories.
Domingues T. S, Coifman R. R., Haji-Akbari A. J. Phys. Chem. B (2023) 127: 8644–8659.
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30. Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Stochastic Trajectories.
Domingues T. S, Coifman R. R., Haji-Akbari A. J. Phys. Chem. B (2023) 127: 5273–5287.
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29. Ideal Conductor Model: An Analytical Finite-Size Correction for Nonequilibrium Molecular Dynamics Simulations of Ion Transport through Nanoporous Membranes.
Shoemaker B. A, Domingues T. S, Haji-Akbari A. J. Chem. Theory Comput. (2022) 18: 7142-7154.
