Publications

Preprints

P1
Choi, J., Thosar, A., Vicars, Z., & Patel, A. J. (2026). Identifying Ice-Philic Protein Patches to Inform the Ice Binding Sites of Antifreeze Proteins. ChemRxiv, 2026(0424). https://doi.org/10.26434/chemrxiv.15002364/v1

Journal Articles

2026

53
Ball, R., Johnson, C. W., Zhang, L., Hopkins, R. N., Hwang, J., Winey, K. I., Patel, A. J., Osuji, C. O., & Anna, J. M. (2026). Correlating solvation shell dynamics and ion transport in highly ordered nanoporous polymers. Nature Communications. https://doi.org/10.1038/s41467-026-73642-8
52
Cai, Y., & Patel, A. J. (2026). Engineering Antifreeze Proteins to Optimally Resist Engulfment by Ice. The Journal of Physical Chemistry B, 130(19), 5106–5116. https://doi.org/10.1021/acs.jpcb.6c01236
51
Tu, W., Theisen, R. Q., Jin, P., Chenoweth, D. M., Patel, A. J., & Good, M. C. (2026). Delivery of peptide coacervates to form stable interaction hubs in cells. Nature Communications, 17(1), 2250. https://doi.org/10.1038/s41467-026-68793-7

2025

50
Jiang, Z., Vicars, Z., Fialoke, S., Jamadagni, S. N., Koenig, P. H., & Patel, A. J. (2025). Thermodynamics of Self-Assembly and Supramolecular Transitions Using Enhanced Sampling. Langmuir, 41(23), 14656–14668. https://doi.org/10.1021/acs.langmuir.5c00114
49
Kim, B. Q., Vicars, Z., Füredi, M., Escobedo, L. F., Venkatesh, R. B., Guldin, S., Patel, A. J., & Lee, D. (2025). Amphiphilic nanopores that condense undersaturated water vapor and exude water droplets. Science Advances, 11(21), eadu8349. https://doi.org/10.1126/sciadv.adu8349
48
Johnson, C. W., Zhang, L., Culley, K. E., Oh, S. M., Gin, D. L., Geise, G. M., Patel, A. J., Winey, K. I., & Osuji, C. O. (2025). The Effects of Morphology and Hydration on Anion Transport in Self-Assembled Nanoporous Membranes. ACS Nano, 19(2), 2559–2569. https://doi.org/10.1021/acsnano.4c14234

2024

47
Sudarshan, V., Seider, W. D., Patel, A. J., Oktem, U. G., & Arbogast, J. E. (2024). Path-Sampling and Machine Learning for Rare Abnormal Events: Application to Polymerization CSTRs. Chemical Engineering Science, 300, 120513. https://doi.org/10.1016/j.ces.2024.120513
46
Vicars, Z., Choi, J., Marks, S. M., Remsing, R. C., & Patel, A. J. (2024). Interfacial Ice Density Fluctuations Inform Surface Ice-Philicity. The Journal of Physical Chemistry B, 128(35), 8512–8521. https://doi.org/10.1021/acs.jpcb.4c03783
45
Thosar, A. U., Cai, Y., Marks, S. M., Vicars, Z., Choi, J., Pallath, A., & Patel, A. J. (2024). On the engulfment of antifreeze proteins by ice. Proceedings of the National Academy of Sciences, 121(24), e2320205121. https://doi.org/10.1073/pnas.2320205121
44
Sudarshan, V., Seider, W. D., Patel, A. J., Oktem, U. G., & Arbogast, J. E. (2024). Alarm rationalization and dynamic risk analyses for rare abnormal events. Computers & Chemical Engineering, 184, 108633. https://doi.org/10.1016/j.compchemeng.2024.108633
43
Sudarshan, V., Seider, W. D., Patel, A. J., Oktem, U. G., & Arbogast, J. E. (2024). Multivariate alarm systems to recognize rare unpostulated abnormal events. AIChE Journal, 70(2), e18284. https://doi.org/10.1002/aic.18284

2023

42
Thosar, A. U., Shalom, Y., Braslavsky, I., Drori, R., & Patel, A. J. (2023). Accumulation of Antifreeze Proteins on Ice Is Determined by Adsorption. Journal of the American Chemical Society, 145(32), 17597–17602. https://doi.org/10.1021/jacs.3c02705
41
Marks, S. M., Vicars, Z., Thosar, A. U., & Patel, A. J. (2023). Characterizing Surface Ice-Philicity Using Molecular Simulations and Enhanced Sampling. The Journal of Physical Chemistry B, 127(27), 6125–6135. https://doi.org/10.1021/acs.jpcb.3c01627

2022

40
Rego, N. B., Ferguson, A. L., & Patel, A. J. (2022). Learning the relationship between nanoscale chemical patterning and hydrophobicity. Proceedings of the National Academy of Sciences, 119(48), e2200018119. https://doi.org/10.1073/pnas.2200018119
39
Rego, N. B., & Patel, A. J. (2022). Understanding Hydrophobic Effects: Insights from Water Density Fluctuations [Journal Article]. Annual Review of Condensed Matter Physics, 13(Volume 13, 2022), 303–324. https://doi.org/10.1146/annurev-conmatphys-040220-045516
38
Thosar, A. U., & Patel, A. J. (2022). Hydration determines anion accumulation. Nature Chemistry, 14(1), 8–10. https://doi.org/10.1038/s41557-021-00864-2

2021

37
Sudarshan, V., Seider, W. D., Patel, A. J., & Arbogast, J. E. (2021). Understanding rare safety and reliability events using forward-flux sampling. Computers & Chemical Engineering, 153, 107387. https://doi.org/10.1016/j.compchemeng.2021.107387
36
Dhabal, D., Jiang, Z., Pallath, A., & Patel, A. J. (2021). Characterizing the Interplay between Polymer Solvation and Conformation. The Journal of Physical Chemistry B, 125(20), 5434–5442. https://doi.org/10.1021/acs.jpcb.1c02191
35
Gabinet, U. R., Lee, C., Poling-Skutvik, R., Keane, D., Kim, N. K., Dong, R., Vicars, Z., Cai, Y., Thosar, A. U., Grun, A., Thompson, S. M., Patel, A. J., Kagan, C. R., Composto, R. J., & Osuji, C. O. (2021). Nanocomposites of 2D-MoS2 Exfoliated in Thermotropic Liquid Crystals. ACS Materials Letters, 3(6), 704–712. https://doi.org/10.1021/acsmaterialslett.1c00222
34
Rego, N. B., Xi, E., & Patel, A. J. (2021). Identifying hydrophobic protein patches to inform protein interaction interfaces. Proceedings of the National Academy of Sciences, 118(6), e2018234118. https://doi.org/10.1073/pnas.2018234118

2020

33
Jayaraman, A., & Patel, A. J. (2020). Molecular design and engineering of biomimetic, bioinspired and biologically derived materials. Molecular Systems Design & Engineering, 5(3), 599–601. https://doi.org/10.1039/D0ME90011G

2019

32
Jiang, H., & Patel, A. J. (2019). Recent advances in estimating contact angles using molecular simulations and enhanced sampling methods. Current Opinion in Chemical Engineering, 23, 130–137. https://doi.org/10.1016/j.coche.2019.03.012
31
Jiang, Z., Remsing, R. C., Rego, N. B., & Patel, A. J. (2019). Characterizing solvent density fluctuations in dynamical observation volumes. The Journal of Physical Chemistry B, 123(7), 1650–1661. https://doi.org/10.1021/acs.jpcb.8b11423
30
Jiang, H., Fialoke, S., Vicars, Z., & Patel, A. J. (2019). Characterizing surface wetting and interfacial properties using enhanced sampling (SWIPES). Soft Matter, 15(5), 860–869. https://doi.org/10.1039/C8SM02317D
29
Rego, N. B., Xi, E., & Patel, A. J. (2019). Protein hydration waters are susceptible to unfavorable perturbations. Journal of the American Chemical Society, 141(5), 2080–2086. https://doi.org/10.1021/jacs.8b11448

2018

28
Marks, S. M., & Patel, A. J. (2018). Antifreeze protein hydration waters: Unstructured unless bound to ice. Proceedings of the National Academy of Sciences, 115(33), 8244–8246. https://doi.org/10.1073/pnas.1810812115
27
Xi, E., Marks, S. M., Fialoke, S., & Patel, A. J. (2018). Sparse sampling of water density fluctuations near liquid-vapor coexistence. Molecular Simulation, 44(13–14), 1124–1135. https://doi.org/10.1080/08927022.2018.1457218
26
Remsing, R. C., Xi, E., & Patel, A. J. (2018). Protein Hydration Thermodynamics: The Influence of Flexibility and Salt on Hydrophobin II Hydration. The Journal of Physical Chemistry B, 122(13), 3635–3646. https://doi.org/10.1021/acs.jpcb.7b12060
25
Moskowitz, I. H., Seider, W. D., Patel, A. J., Arbogast, J. E., & Oktem, U. G. (2018). Understanding rare safety and reliability events using transition path sampling. Computers & Chemical Engineering, 108, 74–88. https://doi.org/10.1016/j.compchemeng.2017.06.016

2017

24
Xi, E., Venkateshwaran, V., Li, L., Rego, N., Patel, A. J., & Garde, S. (2017). Hydrophobicity of proteins and nanostructured solutes is governed by topographical and chemical context. Proceedings of the National Academy of Sciences, 114(51), 13345–13350. https://doi.org/10.1073/pnas.1700092114

2016

23
Prakash, S., Xi, E., & Patel, A. J. (2016). Spontaneous recovery of superhydrophobicity on nanotextured surfaces. Proceedings of the National Academy of Sciences, 113(20), 5508–5513. https://doi.org/10.1073/pnas.1521753113
22
Xi, E., & Patel, A. J. (2016). The hydrophobic effect, and fluctuations: The long and the short of it. Proceedings of the National Academy of Sciences, 113(17), 4549–4551. https://doi.org/10.1073/pnas.1603014113
21
Xi, E., Remsing, R. C., & Patel, A. J. (2016). Sparse sampling of water density fluctuations in interfacial environments. Journal of Chemical Theory and Computation, 12(2), 706–713. https://doi.org/10.1021/acs.jctc.5b01037

2015

20
Remsing, R. C., Xi, E., Vembanur, S., Sharma, S., Debenedetti, P. G., Garde, S., & Patel, A. J. (2015). Pathways to dewetting in hydrophobic confinement. Proceedings of the National Academy of Sciences, 112(27), 8181–8186. https://doi.org/10.1073/pnas.1503302112
19
Remsing, R. C., & Patel, A. J. (2015). Water density fluctuations relevant to hydrophobic hydration are unaltered by attractions. The Journal of Chemical Physics, 142(2), 024502. https://doi.org/10.1063/1.4905009

2014

18
Patel, A. J., & Garde, S. (2014). Efficient method to characterize the context-dependent hydrophobicity of proteins. The Journal of Physical Chemistry B, 118(6), 1564–1573. https://doi.org/10.1021/jp4081977

2013

17
Vembanur, S., Patel, A. J., Sarupria, S., & Garde, S. (2013). On the thermodynamics and kinetics of hydrophobic interactions at interfaces. The Journal of Physical Chemistry B, 117(35), 10261–10270. https://doi.org/10.1021/jp4050513

2012

16
Patel, A. J., Varilly, P., Jamadagni, S. N., Hagan, M. F., Chandler, D., & Garde, S. (2012). Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function. The Journal of Physical Chemistry B, 116(8), 2498–2503. https://doi.org/10.1021/jp2107523

2011

15
Rotenberg, B., Patel, A. J., & Chandler, D. (2011). Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic. Journal of the American Chemical Society, 133(50), 20521–20527. https://doi.org/10.1021/ja208687a
14
Patel, A. J., Varilly, P., Jamadagni, S. N., Acharya, H., Garde, S., & Chandler, D. (2011). Extended surfaces modulate hydrophobic interactions of neighboring solutes. Proceedings of the National Academy of Sciences, 108(43), 17678–17683. https://doi.org/10.1073/pnas.1110703108
13
Garde, S., & Patel, A. J. (2011). Unraveling the hydrophobic effect, one molecule at a time. Proceedings of the National Academy of Sciences, 108(40), 16491–16492. https://doi.org/10.1073/pnas.1113256108
12
Patel, A. J., Varilly, P., Chandler, D., & Garde, S. (2011). Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling. Journal of Statistical Physics, 145(2), 265–275. https://doi.org/10.1007/s10955-011-0269-9
11
Varilly, P., Patel, A. J., & Chandler, D. (2011). An improved coarse-grained model of solvation and the hydrophobic effect. The Journal of Chemical Physics, 134(7), 074109. https://doi.org/10.1063/1.3532939
10
Patel, A. J., Rappl, T. J., & Balsara, N. P. (2011). Similarity of the Signatures of the Initial Stages of Phase Separation in Metastable and Unstable Polymer Blends. Phys. Rev. Lett., 106(3), 035702. https://doi.org/10.1103/PhysRevLett.106.035702

2010

9
Patel, A. J., Mochrie, S., Narayanan, S., Sandy, A., Watanabe, H., & Balsara, N. P. (2010). Dynamic Signatures of Microphase Separation in a Block Copolymer Melt Determined by X-ray Photon Correlation Spectroscopy and Rheology. Macromolecules, 43(3), 1515–1523. https://doi.org/10.1021/ma902343m
8
Patel, A. J., Varilly, P., & Chandler, D. (2010). Fluctuations of water near extended hydrophobic and hydrophilic surfaces. The Journal of Physical Chemistry B, 114(4), 1632–1637. https://doi.org/10.1021/jp909048f

2007

7
Singh, M., Odusanya, O., Wilmes, G. M., Eitouni, H. B., Gomez, E. D., Patel, A. J., Chen, V. L., Park, M. J., Fragouli, P., Iatrou, H., Hadjichristidis, N., Cookson, D., & Balsara, N. P. (2007). Effect of Molecular Weight on the Mechanical and Electrical Properties of Block Copolymer Electrolytes. Macromolecules, 40(13), 4578–4585. https://doi.org/10.1021/ma0629541
6
Patel, A. J., & Balsara, N. P. (2007). Observing Nucleation Close to the Binodal by Perturbing Metastable Polymer Blends. Macromolecules, 40(5), 1675–1683. https://doi.org/10.1021/ma061947+

2006

5
Ruegg, M. L., Patel, A. J., Narayanan, S., Sandy, A. R., Mochrie, S. G. J., Watanabe, H., & Balsara, N. P. (2006). Condensed Exponential Correlation Functions in Multicomponent Polymer Blends Measured by X-ray Photon Correlation Spectroscopy. Macromolecules, 39(25), 8822–8831. https://doi.org/10.1021/ma061183y
4
Patel, A. J., Narayanan, S., Sandy, A., Mochrie, S. G. J., Garetz, B. A., Watanabe, H., & Balsara, N. P. (2006). Relationship between Structural and Stress Relaxation in a Block-Copolymer Melt. Phys. Rev. Lett., 96(25), 257801. https://doi.org/10.1103/PhysRevLett.96.257801
3
Abuzaina, F. M., Garetz, B. A., Patel, A. J., Newstein, M. C., Gido, S. P., Hu, X., & Balsara, N. P. (2006). Observation of Nematic Texture in a Diblock Copolymer Melt. Macromolecules, 39(9), 3377–3385. https://doi.org/10.1021/ma052413w

2005

2
Garetz, B. A., Newstein, M. C., Wilbur, J. D., Patel, A. J., Durkee, D. A., Segalman, R. A., Liddle, J. A., & Balsara, N. P. (2005). Grain Structure in Block Copolymer Thin Films Studied by Guided Wave Depolarized Light Scattering. Macromolecules, 38(10), 4282–4288. https://doi.org/10.1021/ma047859b
1
Abuzaina, F. M., Patel, A. J., Mochrie, S., Narayanan, S., Sandy, A., Garetz, B. A., & Balsara, N. P. (2005). Structure and Phase Behavior of Block Copolymer Melts near the Sphere−Cylinder Boundary. Macromolecules, 38(16), 7090–7097. https://doi.org/10.1021/ma047540r