-
39. Designing membranes with specific binding sites for selective ion separations
Violet C., Ball A., Heiranian M., Villalobos L. F., Zhang J., Uralcan B., Kulik H., Haji-Akbari A. & Elimelech M. Nature Water 2024.
-
38. 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.
-
37. 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., Guerrero-Garcia G.I., Grue
-
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
-
35. Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization
Escobedo, F. A., Haji-Akbari, A., Sharma, S. . Chem. Theory Comput. 2024, 20, 4, 1503–1504
-
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
-
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
-
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
-
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, 40, 8644–8659
-
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
-
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
-
28. How to Quantify and Avoid Finite Size Effects in Computational Studies of Crystal Nucleation: The Case of Homogeneous Crystal Nucleation
Hussain S., Haji-Akbari A. J. Chem. Phys. 2022, 156: 054503
-
27. Role of Nanoscale Interfacial Proximity in Contact Freezing in Water
Hussain S., Haji-Akbari A. J. Am. Chem. Soc. 2021, 143: 2272–2284
-
26. How to Quantify and Avoid Finite Size Effects in Computational Studies of Crystal Nucleation: The Case of Heterogeneous Ice Nucleation
Hussain S., Haji-Akbari A. J. Chem. Phys. 2021, 154: 014108
-
25. Studying Rare Events Using Forward-Flux Sampling: Recent Breakthroughs and Future Outlook
Hussain S., Haji-Akbari A. J. Chem. Phys. 2020, 152: 060901
-
24. Induced Charge Anisotropy: A Hidden Variable Affecting Ion Transport through Membranes
Malmir, H., Epsztein, R., Elimelech, M., Haji-Akbari, A. Matter 2020, 2: 735-750
-
23. Single Crystal Texture by Directed Molecular Self-Assembly Along Dual Axes
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.
-
22. Thermodynamically Driven Assemblies and Liquid-liquid Phase Separations in Biology
Falahati, H., Haji-Akbari, A. Soft Matter 2019, 15: 1135, [Invited Article, Special Issue Soft Matter Emerging Investigators]
-
21. Forward-Flux Sampling with Jumpy Order Parameters
Haji-Akbari, A. J. Chem. Phys. 2018, 149: 072303, [Invited Article, Special Topic on Enhanced Sampling for Molecular Systems ]
-
20. Comment on “The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water.”
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
-
19. Hybrid Monte Carlo with LAMMPS
Guo, J., Haji-Akbari, A., Palmer, J. C. J. Theor. Comput. Chem. 2018, 17: 1840002
-
18. Forward Flux Sampling Calculation of Homogeneous Nucleation Rates from Aqueous NaCl Solutions
Jiang, H., Haji-Akbari, A., Debenedetti, P. G., Panagiotopoulos, A. Z. J. Chem. Phys. 2018, 148: 044505
-
17. Perspective: Surface Freezing in Water: A Nexus of Experiments and Simulations
Haji-Akbari, A. ; Debenedetti, P. G. J. Chem. Phys. 2017, 147: 060901. [Invited]
-
16. A Fundamental Wax Deposition Model for Water-in-Oil Dispersed Flows in Subsea Pipelines
Zheng, S., Fogler, H. S., Haji-Akbari, A. AIChE J. 2017, 63: 4201-4213
-
15. Computational Investigation of Surface Freezing in a Molecular Model of Water
Haji-Akbari, A., Debenedetti, P. G. PNAS 2017, 114: 3316–3321
-
14. Effect of Material Flexibility on the Thermodynamics and Kinetics of Hydrophobically-Induced Evaporation of Water
Altabet, Y. E., Haji-Akbari, A., Debenedetti, P. G. PNAS 2017, 114: E2548–E2555
-
13. Rating Antifreeze Proteins: Not a Breeze
Haji-Akbari, A. PNAS 2016, 113, 3714-3716
-
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
Gianetti, M. M., Haji-Akbari, A., Longinotti, P. M., Debenedetti, P. G. Phys. Chem. Chem. Phys. 2016, 18, 4102–4111
-
11. Thermodynamic and Kinetic Anisotropies in Octane Thin Films
Haji-Akbari, A., Debenedetti, P. G. J. Chem. Phys. 2015, 143, 214501.2014
-
10. Strong Orientational Coordinates and Orientational Order Parameters for Symmetric Objects
Haji-Akbari, A., Glotzer, S. C. Journal of Physics A: Mathematical and Theoretical 2015, 48, 485201
-
9. Dimer Covering and Percolation Frustration
Haji-Akbari, A., Haji-Akbari, N., Ziff, R. M. Physical Review E 2015, 92, 032134
-
8. Direct Calculation of Ice Homogeneous Nucleation Rate for a Molecular Model of Water
Haji-Akbari, A., Debenedetti, P. G. PNAS 2015, 112, 10582-10588
-
7. Suppression of Subsurface Freezing in Free-standing Thin Films of Monoatomic Water
Haji-Akbari, A., DeFever, R. S., Sarupria, S., Debenedetti, P. G. Phys. Chem. Chem. Phys. 2014, 16, 25916-25927
-
6. The Effect of Substrate on Thermodynamic and Kinetic Anisotropies in Atomic Thin Films
Haji-Akbari, A., Debenedetti, P. G. J. Chem. Phys. 2014, 141, 024506
-
5. Packing and Self-Assembly of Truncated Triangular Bipyramids
Haji-Akbari, A., Chen, E. R., Engel, M., Glotzer, S. C. Physical Review E 2013, 88, 012127
-
4. Degenerate Quasicrystal of Hard Triangular Bipyramids
Haji-Akbari, A., Engel, M., Glotzer, S. C. Phys. Rev. Lett. 2011, 107, 215702
-
3. Phase Diagram of Hard Tetrahedra
Haji-Akbari, A., Engel, M., Glotzer, S. C. J. Chem. Phys. 2011, 135, 194101
-
2. Disordered, Quasicrystalline and Crystalline Phases of Densely Packed Tetrahedra
Haji-Akbari, A., Engel, M., Keys, A. S., Zheng, X., Petschek, R. G., Palffy-Muhoray, P., Glotzer, S. C. Nature 2009, 462, 773-777
-
1. Percolation in Networks with Voids and Bottlenecks
Haji-Akbari, A., Ziff, R. M. Physical Review E 2009, 79, 021118