PUBLICATIONS

publications

  1. Dasgupta, D., Mehrani, R., Carlson, H., Sharma, S. (2023). Identifying Potential Ligand Binding Sites on Glycogen Synthase Kinase 3 Using Atomistic Cosolvent Simulations. ACS Applied Bio Materials. (link)
  2. Aghaaminiha, M., Farnoud, A., Sharma, S. (2023). Interdependence of Cholesterol Distribution and Conformational Order in Lipid Bilayers. 3. Biointerphases; 18: 031001. (link)
  3. Faeli Qadikolae, A., Sharma, S. (2023). Molecular Simulations of Adsorption of Surfactant Micelles on Partially and Fully Covered Iron Surfaces. J. Mol. Liq.; 379: 121685. (link)
  4. Faeli Qadikolae, A., Sharma, S. (2022). Facet Selectivity of Cetyltrimethyl Ammonium Bromide Surfactants on Gold Nanoparticles Studied Using Molecular Simulations. 48. J. Phys. Chem. B; 126: 10249-10255. (link)
  5. Singh, H., Sharma, S. (2022). Understanding the Hydration Thermodynamics of Cationic Quaternary Ammonium and Charge-Neutral Amine Surfactants. 47.  J. Phys. Chem. B; 126: 9810-9820. (link)
  6. Baheri, B., Lindenberger, A., Sharma, S., Lee, S. (2022). Characterization of linear low-density polyethylene and halloysite nanotube (LLDPE/HNT) composites based on two-roll calendering melt fabrication, J. App. Poly. Sci.; 140: e53259. (link).
  7. Wang, H., Sharma, S., Pailleret, A., Brown, B., Nesic, S. (2022). Investigation of corrosion inhibitor adsorption on mica and mild steel using electrochemical atomic force microscopy and molecular simulations. 10. Corrosion; 78: 978-990. (link).
  8. Mehrani, R., Sharma, S. (2022). Stability of water confined between supported self-assembled monolayers. 27. J. Phys. Chem. B; 126: 5110-5116. (link).
  9. Singh H., Sharma S., Hydration of Linear Alkanes is Governed by the Small Length-Scale Hydrophobic Effect, J. Chem. Theory Comput. (2022) (link)
  10. Hammond C.B., Aghaaminiha M., Sharma S., Shen C., Chen H., Wu L., Mesoscale Aggregation of Sulfur-Rich Asphaltenes: In Situ Microscopy and Coarse-Grained Molecular Simulation, Langmuir (2022) (link)
  11. Singh H., Sharma S., Determination of Equilibrium Adsorbed Morphologies of Surfactants at Metal-Water Interfaces Using a Modified Umbrella Sampling-Based Methodology, J. Chem. Theory Comput. (2022) (link)
  12. Aghaaminiha M., Mehrani R., Colahan M., Brown B., Singer M., Nesic S., Vargas S., Sharma S., Machine Learning Modeling of Time -Dependent Corrosion Rates of Carbon Steel in Presence of Corrosion Inhibitors, Corros. Sci., Vol. 193, 109904 (2021) (link)
  13. Aghaaminiha M., Mehrani R., Reza T., Sharma S., Comparison of Machine Learning Methodologies for Predicting Kinetics of Hydrothermal Carbonization of Selective Biomass, Biomass Convers. Biorefin. (2021)
  14. Aghaaminiha M., Farnoud A. M., Sharma S., Quantitative Relationship Between Cholesterol Distribution and Ordering of Lipids in Asymmetric Lipid Bilayers, Soft Mat., Vol. 17, 2742 (2021) (link)
  15. Mehrani R., Sharma S., Behavior of water confined between hydrophobic surfaces with grafted segments, Coll. Inter. Sci. Comm., Vol. 40, 100355 (2021) (link)
  16. Khan M.R., Singh H., Sharma S., Cimatu K. L. A., Direct observation of adsorption morphologies of cationic surfactants at the gold metal – liquid interface, J. Phys. Chem. Lett. (2020) (link)
  17. Ko X., Dominguez Olivo J., Brown B., Nesic S., Sharma S., Experiments and molecular simulations to study the role of co-adsorption of oil in corrosion inhibitor films in improving corrosion mitigation, Corrosion (2020) (link)
  18. Ko X., Sharma S., A quantitatively accurate theory to predict adsorbed configurations of asymmetric surfactant molecules on polar surfaces, J. Phys. Chem. B (2020) (link)
  19. Singh H., Sharma S., Free energy profiles of adsorption of surfactant micelles at metal-water interfaces, Mol. Simulat. [invited paper] (2020) (link)
  20. Singh H., Sharma S., Disintegration of surfactant micelles at metal-water interfaces promotes their strong adsorption, J. Phys. Chem. B, Vol. 124, 2262 (2020) (link)
  21. Sharma S., Singh H., Ko X., A quantitatively accurate theory to predict adsorbed configurations of linear surfactants on polar surfaces, J. Phys. Chem. B, Vol. 123, 7464 (2019) (link)
  22. Khosravi Z., Sharma S., Farnoud A. M., Submicron polymeric particles accelerate insulin fibrillation by surface adsorption, Biointerphases, Vol. 14,  021001 (2019) (link)
  23. Sharma S., Ko X., Kurapati Y., Singh H., Nesic S., Adsorption behavior of organic corrosion inhibitors on metal surfaces, Corrosion, Vol. 75, 90 (2019) (link)
  24. Ghasemi M., Ramsheh S. M., Sharma S., Quantitative assessment of thermodynamic theory in elucidating behavior of water under hydrophobic confinement, J. Phys. Chem. B, Vol. 122, 12087 (2018) (link)
  25. Kurapati Y., Sharma S., Adsorption free energies of imidazolinium-type surfactants in infinite dilution and in micellar state on gold surface, J. Chem. Phys. B, Vol. 122, 5933 (2018) (link)
  26. Ko X., Sharma S., Adsorption and self-assembly of surfactants on metal-water interfaces, J. Chem. Phys. B, Vol. 121, 10364 (2017) (link)
  27. Remsing R. C., Erte X., Vembanur S., Sharma S., Debenedetti P. G., Garde S., Patel A. J., Pathways to dewetting in hydrophobic confinement, Proc. Natl. Acad. Sci. USA, 03302 (2015) (link)
  28. Sharma S., Buldyrev S., Rossky P., Stanley H. E., Debenedetti P. G., Kumar S. K., A coarse grained protein model in water – like solvent, Sci. Rep – UK, Vol. 3, 1841 (2013) (link)
  29. Sharma S., Debenedetti P. G., Liquid to vapor transition of water in hydrophobic confinement, Proc. Natl. Acad. Sci. USA, Vol. 109, 4365 (2012) (link)
  30. Sharma S., Debenedetti P. G., Free energy barriers to evaporation of water in hydrophobic confinement, J. Phys. Chem. B., Vol. 116, 13282 (2012) (link)
  31. Radhakrishna M., Sharma S., Kumar S. K., Enhanced Wang Landau sampling for adsorbed protein conformations, J. Chem. Phys., Vol. 136, 114114 (2012) (link)
  32. Sharma S., Berne B. J., Kumar S. K, Thermal and structural stability of adsorbed proteins, Biophys. J., Vol. 99, 1157 (2010) (link)
  33. Anand G., Sharma S., Dutta A. K., Kumar S. K., Belfort G., Conformational transitions of adsorbed proteins on surfaces of varying polarity, Langmuir, Vol. 26, 10803 (2010) (link)
  34. Anand G., Sharma S., Kumar S. K, Belfort G., Stability of tethered proteins, Langmuir, Vol. 25, 4998 (2009) (link)
  35. Sharma S., Kumar S. K., Finite size effects on locating thermodynamic transitions in macromolecules, J. Chem. Phys., Vol. 129, 134901 (2008). (link)