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35. Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization
Arrow Up Right (link is external)Escobedo, F. A., Haji-Akbari, A., Sharma, S. . 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
Arrow Up Right (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
Arrow Up Right (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
Arrow Up Right (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
Arrow Up Right (link is external)Domingues T. S, Coifman R. R., Haji-Akbari A. J. Phys. Chem. B 2023, 127, 40, 8644–8659
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30. Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Stochastic Trajectories
Arrow Up Right (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
Arrow Up Right (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
Arrow Up Right (link is external)Hussain S., Haji-Akbari A. J. Chem. Phys. 2022, 156: 054503
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27. Role of Nanoscale Interfacial Proximity in Contact Freezing in Water
Arrow Up Right (link is external)Hussain S., Haji-Akbari A. J. Am. Chem. Soc. 2021, 143: 2272–2284
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26. How to Quantify and Avoid Finite Size Effects in Computational Studies of Crystal Nucleation: The Case of Heterogeneous Ice Nucleation
Arrow Up Right (link is external)Hussain S., Haji-Akbari A. J. Chem. Phys. 2021, 154: 014108
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25. Studying Rare Events Using Forward-Flux Sampling: Recent Breakthroughs and Future Outlook
Arrow Up Right (link is external)Hussain S., Haji-Akbari A. J. Chem. Phys. 2020, 152: 060901
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24. Induced Charge Anisotropy: A Hidden Variable Affecting Ion Transport through Membranes
Arrow Up Right (link is external)Malmir, H., Epsztein, R., Elimelech, M., Haji-Akbari, A. Matter 2020, 2: 735-750
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23. Single Crystal Texture by Directed Molecular Self-Assembly Along Dual Axes
Arrow Up Right (link is external)Feng, X., Kawabata, K., Cowan, M. G, Dwulet, G. E, Toth, K., Sixdenier, L., Haji-Akbari, A., Noble, R. D, Elimelech, M., Gin, D. L, and Osuji, C. O. Nat. Mat. 2019.
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22. Thermodynamically Driven Assemblies and Liquid-liquid Phase Separations in Biology
Arrow Up Right (link is external)Falahati, H., Haji-Akbari, A. Soft Matter 2019, 15: 1135, [Invited Article, Special Issue Soft Matter Emerging Investigators]
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21. Forward-Flux Sampling with Jumpy Order Parameters
Arrow Up Right (link is external)Haji-Akbari, A. J. Chem. Phys. 2018, 149: 072303, [Invited Article, Special Topic on Enhanced Sampling for Molecular Systems ]
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20. Comment on “The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water.”
Arrow Up Right (link is external)Palmer, J. C. , Haji-Akbari, A. , Singh, R. S. , Martelli, F. , Car, R. , Panagiotopoulos, A. Z., Debenedetti, P. G. J. Chem. Phys. 2018, 148: 137101
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19. Hybrid Monte Carlo with LAMMPS
Arrow Up Right (link is external)Guo, J., Haji-Akbari, A., Palmer, J. C. J. Theor. Comput. Chem. 2018, 17: 1840002
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18. Forward Flux Sampling Calculation of Homogeneous Nucleation Rates from Aqueous NaCl Solutions
Arrow Up Right (link is external)Jiang, H., Haji-Akbari, A., Debenedetti, P. G., Panagiotopoulos, A. Z. J. Chem. Phys. 2018, 148: 044505
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17. Perspective: Surface Freezing in Water: A Nexus of Experiments and Simulations
Arrow Up Right (link is external)Haji-Akbari, A. ; Debenedetti, P. G. J. Chem. Phys. 2017, 147: 060901. [Invited]
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16. A Fundamental Wax Deposition Model for Water-in-Oil Dispersed Flows in Subsea Pipelines
Arrow Up Right (link is external)Zheng, S., Fogler, H. S., Haji-Akbari, A. AIChE J. 2017, 63: 4201-4213
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15. Computational Investigation of Surface Freezing in a Molecular Model of Water
Arrow Up Right (link is external)Haji-Akbari, A., Debenedetti, P. G. PNAS 2017, 114: 3316–3321
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14. Effect of Material Flexibility on the Thermodynamics and Kinetics of Hydrophobically-Induced Evaporation of Water
Arrow Up Right (link is external)Altabet, Y. E., Haji-Akbari, A., Debenedetti, P. G. PNAS 2017, 114: E2548–E2555
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13. Rating Antifreeze Proteins: Not a Breeze
Arrow Up Right (link is external)Haji-Akbari, A. PNAS 2016, 113, 3714-3716
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12. Computational Investigation of Structure, Dynamics and Nucleation Kinetics of a Family of Modified Stillinger-Weber Model Fluids in Bulk and Free-Standing Thin Films
Arrow Up Right (link is external)Gianetti, M. M., Haji-Akbari, A., Longinotti, P. M., Debenedetti, P. G. Phys. Chem. Chem. Phys. 2016, 18, 4102–4111
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11. Thermodynamic and Kinetic Anisotropies in Octane Thin Films
Arrow Up Right (link is external)Haji-Akbari, A., Debenedetti, P. G. J. Chem. Phys. 2015, 143, 214501.2014
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10. Strong Orientational Coordinates and Orientational Order Parameters for Symmetric Objects
Arrow Up Right (link is external)Haji-Akbari, A., Glotzer, S. C. Journal of Physics A: Mathematical and Theoretical 2015, 48, 485201
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9. Dimer Covering and Percolation Frustration
Arrow Up Right (link is external)Haji-Akbari, A., Haji-Akbari, N., Ziff, R. M. Physical Review E 2015, 92, 032134
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8. Direct Calculation of Ice Homogeneous Nucleation Rate for a Molecular Model of Water
Arrow Up Right (link is external)Haji-Akbari, A., Debenedetti, P. G. PNAS 2015, 112, 10582-10588
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7. Suppression of Subsurface Freezing in Free-standing Thin Films of Monoatomic Water
Arrow Up Right (link is external)Haji-Akbari, A., DeFever, R. S., Sarupria, S., Debenedetti, P. G. Phys. Chem. Chem. Phys. 2014, 16, 25916-25927
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6. The Effect of Substrate on Thermodynamic and Kinetic Anisotropies in Atomic Thin Films
Arrow Up Right (link is external)Haji-Akbari, A., Debenedetti, P. G. J. Chem. Phys. 2014, 141, 024506
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5. Packing and Self-Assembly of Truncated Triangular Bipyramids
Arrow Up Right (link is external)Haji-Akbari, A., Chen, E. R., Engel, M., Glotzer, S. C. Physical Review E 2013, 88, 012127
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4. Degenerate Quasicrystal of Hard Triangular Bipyramids
Arrow Up Right (link is external)Haji-Akbari, A., Engel, M., Glotzer, S. C. Phys. Rev. Lett. 2011, 107, 215702
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3. Phase Diagram of Hard Tetrahedra
Arrow Up Right (link is external)Haji-Akbari, A., Engel, M., Glotzer, S. C. J. Chem. Phys. 2011, 135, 194101
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2. Disordered, Quasicrystalline and Crystalline Phases of Densely Packed Tetrahedra
Arrow Up Right (link is external)Haji-Akbari, A., Engel, M., Keys, A. S., Zheng, X., Petschek, R. G., Palffy-Muhoray, P., Glotzer, S. C. Nature 2009, 462, 773-777
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1. Percolation in Networks with Voids and Bottlenecks
Arrow Up Right (link is external)Haji-Akbari, A., Ziff, R. M. Physical Review E 2009, 79, 021118