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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.(Link is external)
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(Link is external)
W. Pan, D. Roy, B. Uralcan, S. K. Patel, A. Iddya, E. Ahn, A. Haji-Akbari, J. Kamcev & M. Elimelech.
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39. Designing membranes with specific binding sites for selective ion separations(Link is external)
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(Link is external)
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(Link is external)
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(Link is external)
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(Link is external)
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(Link is external)
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(Link is external)
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.(Link is external)
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.(Link is external)
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.(Link is external)
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.(Link is external)
Shoemaker B. A, Domingues T. S, Haji-Akbari A. J. Chem. Theory Comput. 2022, 18: 7142-7154.
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28. How to quantify and avoid finite size effects in computational studies of crystal nucleation: The case of homogeneous crystal nucleation. J. Chem. Phys. 2022, 156: 054503.(Link is external)
Hussain S., Haji-Akbari A. https://doi.org/10.1063/5.0079702
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27. Role of nanoscale interfacial proximity in contact freezing in water. J. Am. Chem. Soc.. 2021, 143: 2272–2284.(Link is external)
Hussain S., Haji-Akbari A. https://doi.org/10.1021/jacs.0c10663
