2025
43. S. Raghavan, B. Chaplin, and S. Mehraeen, Elucidating the impact of the electrocatalyst surface and applied potential on the decarboxylation of the PFOA radical on the Ti4O7 [112] facet using DFT simulations, Journal of Physical Chemistry C, xx(xx), xxxx–xxxx (2025).
42. Y.S. Khalid, S.M.M. Islam, S. Mehraeen, and B. Chaplin, Reactive-transport modeling of oxidation pathways of insensitive high munitions in porous flow-through electrodes, ACS Environmental Science & Technology Engineering, xx(xx), xxxx–xxxx (2025).
2023
41. S. Raghavan, B. Chaplin, and S. Mehraeen, Small-molecule adsorption energy predictions for high-throughput screening of electrocatalysts, Journal of Chemical Information and Modeling, 63(17), 5529–5538 (2023).
40. D. Christiansen, and S. Mehraeen, Prediction of zwitterion hydration and ion association using machine learning, Soft Matter, 19, 3179 (2023).
39. Z. Luo, and S. Mehraeen, Unraveling the impact of template geometry and confinement on template-assisted self-assembly of nanoparticles, Molecular Systems Design and Engineering, 8, 1075-1086 (2023).
38. B.K. Choi, J. Kim, J. Kim, Z. Luo, J. Kim, J.H. Kim, T. Hyeon, S. Mehraeen, S. Park, and J. Park, Shape transformation mechanism of gold nanoplates, ACS Nano, 17(3), 2007–2018 (2023).
37. Z. Luo, and S. Mehraeen, Free energy contributions to template-assisted self-assembly of nanoparticles from steered molecular dynamics simulations, Journal of Applied Nano Materials, 6(1), 283–295 (2023).
2022
36. D. Christiansen, and S. Mehraeen, Hydration and ion interactions of zwitterionic homopolymers with varying carbon spacer lengths, Journal of Chemical Engineering Research and Design, 186, 174-183 (2022).
35. Y. Khalid, S. Misal, S. Mehraeen, and B. Chaplin, Reactive-transport modeling of electrochemical oxidation of perfluoroalkyl substances in porous flow-through electrodes, Journal of Environmental Science & Technology, 2(4), 713–725 (2022).
34. Y. Son, B. H. Kim, B. K. Choi, Z. Luo, J. Kim, G.H. Kim, S.J. Park, T. Hyeon, S. Mehraeen, and J. Park, In Situ liquid phase TEM of nanoparticle formation and diffusion in a phase-separated medium, ACS Applied Materials & Interfaces, 14(20), 22810–22817 (2022).
2021
33. H. Wang, X. Liu, D. E. Christiansen, S. Fattahpour, K. Wang, H. Song, S. Mehraeen, and G. Cheng, Thermoplastic polyurethane with controllable degradation and critical anti-fouling properties, Biomaterials Science, 9(4), 1381-1396 (2021).
32. Z. Luo, and S. Mehraeen, Molecular view of the distortion and pinning force of a receding contact line: Impact of the nanocavity geometry, Langmuir, 37(23), 7008–7018 (2021).
31. B. Mathew, L. Torres, L. G. Acha, S. Tran, A. Liu, R. Patel, M. Chennakesavalu, A. Aneesh, C.-C. Huang, D. Feinstein, S. Mehraeen, S. Ravindran, S. Roth, Uptake and distribution of bone marrow mesenchymal stem cell extracellular vesicles in retina, Cells, 10(4), 730 (2021).
2020
30. S. Mehraeen, Self-assembly of nanostructures and patchy nanoparticles, IntechOpen, London, UK, ISBN: 978-1-78984-742-0 (2020).
29. Z. Luo, and S. Mehraeen, Unraveling the mechanism of a rising three-phase contact line along a vertical surface using many-body dissipative particle dynamics, Langmuir, 36(26), 7474–7482 (2020).
28. H. Wang, D. E. Christiansen, S. Mehraeen, and G. Cheng, Winning the fight against biofilms: First six-month study showing no biofilm formation on zwitterionic polyurethanes, Chemical Science, 11, 4709-4721 (2020).
27. M. H. Lin, S. Mehraeen, G. Cheng, C. Rusinek, and B. P. Chaplin, Bacteria poration on modified Boron-doped diamond electrode surfaces induced by divalent cation chelation, Journal of Environmental Science: Water Research & Technology, 6, 1576-1587 (2020).
2019
26. D. E. Christiansen, and S. Mehraeen, Impact of active layer morphology, density of states, charge carrier concentration, and local charge density fluctuations on bimolecular recombination of bulk heterojunction solar cells: A theoretical perspective, IntechOpen, London, UK, ISBN: 978-1-78984-742-0 (2019).
25. M. H. Lin, S. Mehraeen, G. Cheng, C. Rusinek, and B. P. Chaplin, The role of near electrode solution chemistry on bacteria attachment and poration at low applied potentials, Journal of Environmental Science & Technology, 54, 1, 446-455 (2019).
24. S. N. Misal, M. H. Lin, S. Mehraeen, and B. P. Chaplin, Modeling electrochemical oxidation and reduction of sulfamethoxazole using electrocatalytic reactive electrochemical membranes, Journal of Hazard Materials, 121420 (2019).
23. Z. Luo, and S. Mehraeen, Predictive model to probe the impact of gravity and surface tension on rising wetting thin films, Langmuir, 35(11), 4189–4196 (2019).
2018
22. Y. Jing, S. Almassi, S. Mehraeen, R. J. LeSuer, and B. P. Chaplin, The roles of oxygen vacancies, electrolyte composition, lattice structure, and doping density on the electrochemical reactivity of Magnéli phase TiO2 anodes, Journal of Materials Chemistry A, 6, 23828 (2018).
2017
21. V. Coropceanu, J-L. Brédas, and S. Mehraeen, Impact of active layer morphology on bimolecular recombination dynamics in organic solar cells, Journal of Physical Chemistry C, 121(45), 24954-24961 (2017).
2015
20. M. Asbahi, S. Mehraeen, J. K.W. Yang, J. Cao, and M.C. Tan, Large area directed self-assembly of sub-10 nm particles with single particle positioning resolution, Nano Letters, 15, 6066-6070 (2015).
19. S. Mehraeen, M. Asbahi, J. K.W. Yang, J. Cao, and M.C. Tan, Sub-10 nm particles directed self-assembly: Role of driving forces and template geometry, Langmuir, 31, 8548-8557 (2015).
2014
18. S. Shoaee, S. Mehraeen, J. G. Labram, D. D.C. Bradley, T. D. Anthopoulos, J-L. Brédas, V. Coropceanu, and J. R. Durrant, Correlating non-geminate recombination with film microstructure: a comparison of polythiophene : fullerene bilayer and blend films, Physical Chemistry Letters, 5, 3669-3676 (2014).
17. J. J. VanDersarl, S. Mehraeen, A. Schoen, S. Heilshorn, A. Spakowitz, and N. A. Melosh, Rheology and simulation of 2-dimensional clathrin protein network assembly, Soft Matter, 10, 6219-6227 (2014).
16. M. Asbahi, S. Mehraeen, K. T.P. Lim, F. Wang, J. Cao, M.C. Tan, and J. K.W. Yang, Template-induced structure transition in sub-10 nm self-assembling nanoparticles, Nano Letters, 14, 2642-2646 (2014).
15. N. Cordella, T. J. Lampo, S. Mehraeen, and A. J. Spakowitz, Membrane fluctuations destabilize clathrin protein lattice order, Biophysical Journal, 106, 7, 1476-1488 (2014).
2013
14. A. P. Schoen, N. Cordella, S. Mehraeen, M. A. Arunagirinathan, A. J. Spakowitz, and S. C. Heilshorn, Dynamic remodeling of disordered protein aggregates is an alternative pathway to achieve robust self-assembly of nanostructures, Soft Matter, 9, 38, 9137-9145 (2013).
13. N. R. Rummala, S. Mehraeen, Y.-T. Fu, C. Risko, and J-L. Brédas, Materials-scale implications of solvent and temperature on [6,6]-phenyl-C61-Butyric Acid Methyl Ester (PCBM): A theoretical perspective, Advanced Functional Materials, 23, 5800-5813 (2013).
12. S. Mehraeen, V. Coropceanu, and J-L. Brédas, Role of band states and trap states in the electrical properties of organic semiconductors: Hopping versus mobility edge model, Physical Review B, 87, 195209 (2013).
2012
11. S. Olthof, S. Mehraeen, S. K. Mohapatra, S. Barlow, V. Coropceanu, J-L. Brédas, S. R. Marder, and A. Kahn, Ultra low doping in organic semiconductors: Evidence of trap filling, Physical Review Letters, 109, 176601 (2012).
10. S. Mehraeen, and A. J. Spakowitz, Intrinsic fluctuations lead to broad range of transduced forces in tethered-bead single-molecule experiments, Physical Review E, 86, 021902 (2012).
2011
9. S. Mehraeen, N. Cordella, J. S. Yoo, and A. J. Spakowitz, Impact of defect creation and motion on the thermodynamics and large-scale reorganization of self-assembled clathrin lattices, Soft Matter, 7, 8789-8799 (2011).
8. B. Sudhanshu, S. Mihardja, E. F. Koslover, S. Mehraeen, C. Bustamante, and A. J. Spakowitz, Tension-dependent structural deformation alters single-molecule transition kinetics, Proceedings of the National Academy of Sciences, 108, 1885-1990 (2011).
2010
7. S. Mehraeen, J. S. Chen, and W. Hu, An iterative asymptotic expansion multiscale method for elliptic eigenvalue problems, Computational Mechanics, 46(2), 349-361 (2010).
2008
6. S. Mehraeen, B. Sudhanshu, E. F. Koslover, and A. J. Spakowitz, End-to-end distribution for a wormlike chain in arbitrary dimensions, Physical Review E, 72, 041802 (2008).
2006
5. X. Zhang, S. Mehraeen, J. S. Chen, and N. Ghoniem, Multiscale total Lagrangian formulation for modeling dislocation-induced plastic deformation in polycrystalline materials, International Journal for Multiscale Computational Engineering, 4, 29-45 (2006).
4. S. Mehraeen, and J. S. Chen, Wavelet Galerkin method in multiscale homogenization of heterogeneous media, International Journal for Numerical Methods in Engineering, 66(3), 381-403 (2006).
2005
3. S. Mehraeen and J. S. Chen, Multiscale modeling of heterogeneous materials with fixed and evolving microstructures, Modeling and Simulation in Materials Science and Engineering, 13, 95-121 (2005).
2004
2. S. Mehraeen, and J. S. Chen, Wavelet-based multiscale projection method in homogenization of heterogeneous media, Finite Elements in Analysis and Design, 40, 1665-1679 (2004).
1. S. Mehraeen, and J. S. Chen, Variationally consistent multiscale modeling and homogenization of stressed grain growth, Computational Methods in Applied Mechanics and Engineering, 193, 1825-1848 (2004).