µÛÍõ»áËù

Journal Article, Academic Journal (44)

• Mehrani, R., Mondal, J., Ghazanfari, D., Goetz, D., McCall, K., Bergmeier, S., Sharma, S. (2024). Capturing the Effects of Single Atom Substitutions on the Inhibition Efficiency of Glycogen Synthase Kinase-3β Inhibitors via Markov State Modeling and Experiments. Journal of Chemical Theory and Computations; .
• Hammond, C., Qadikolae, A., Aghaaminiha, M., Sharma, S., Wu, L. (2024). New Insights into the Formation of Aggregates of Bidisperse Nano- and Microplastics in Water Based on the Analysis of In Situ Microscopy and Molecular Simulation. 28. Langmuir; 40: 14455–14466. .
• Norooziasl, N., Qadikolae, A., Young, D., Brown, B., Sharma, S., Singer, M. (2024). Experiments and Molecular Simulations to Study the Effect of Surface-Active Compounds in Mixtures of Model Oils on CO2 Corrosion during Intermittent Oil–Water Wetting. Langmuir; .
• Eslami, M., Sharma, S., Young, D., Singer, M. (2024). Efficiency of Volatile Corrosion Inhibitors in the Presence of n-Heptane: An Experimental and Molecular Simulation Study. Corrosion Journal; .
• Escobedo, F., Haji-Akbari, A., Sharma, S. (2024). Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization. 4. Journal of Chemical Theory and Computations; 20: 1503-1504. .
• Chambers, C., Nagar, H., Sharma, S., Reza, M. (2023). Elucidating microcystin-LR adsorption on pyrolyzed hydrochars via experiments and molecular simulations. Journal of Analytical and Applied Pyrolysis; 176: 106243. .
• 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; .
• Aghaaminiha, M., Farnoud, A., Sharma, S. (2023). Interdependence of Cholesterol Distribution and Conformational Order in Lipid Bilayers. 3. Biointerphases; 18: 031001. .
• Faeli Qadikolae, A., Sharma, S. (2023). Molecular Simulations of Adsorption of Surfactant Micelles on Partially and Fully Covered Iron Surfaces. Journal of Molecular Liquids; 379: 121685. .
• Qadikolae, A., Sharma, S. (2022). Facet Selectivity of Cetyltrimethyl Ammonium Bromide Surfactants on Gold Nanoparticles Studied Using Molecular Simulations. 48. The Journal of Physical Chemistry B; 126: 10249-10255. .
• Singh, H., Sharma, S. (2022). Understanding the Hydration Thermodynamics of Cationic Quaternary Ammonium and Charge-Neutral Amine Surfactants. 47. The Journal of Physical Chemistry B; 126: 9810-9820. .
• 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. 5. Journal of Applied Polymer Science; 140: e53259. .
• 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. .
• Mehrani, R., Sharma, S. (2022). Stability of water confined between supported self-assembled monolayers. 27. The Journal of Physical Chemistry B; 126: 5110-5116. .
• Singh, H., Sharma, S. (2022). Hydration of linear alkanes is governed by the small length-scale hydrophobic effect. 6. Journal of Chemical Theory and Computation; 18: 3805-3813. .
• Hammond, C., Aghaaminiha, M., Sharma, S., Shen, C., Chen, H., Wu, L. (2022). Mesoscale aggregation of sulfur-rich asphaltenes: In-situ microscopy and coarse-grained molecular simulation. 22. Langmuir; 38: 6896-6910. .
• Singh, H., Sharma, S. (2022). Determination of Equilibrium Adsorbed Morphologies of Surfactants at Metal-Water Interfaces Using a Modified Umbrella Sampling-Based Methodology. Journal of Chemical Theory and Computation; .
• Aghaaminiha, M., Mehrani, R., Colahan, M., Brown, B., Singer, M., Nesic, S., Vargas, S., Sharma, S. (2021). Machine learning modeling of time-dependent corrosion rates of carbon steel in presence of corrosion inhibitors. Corrosion Science; 193: 109904.
• Aghaaminiha, M., Mehrani, R., Colahan, M., Brown, B., Singer, M., Nesic, S., Vargas, S., Sharma, S. (2021). Machine learning modeling of time-dependent corrosion rates of carbon steel in presence of corrosion inhibitors. Corrosion Science; 193: 109904. .
• Mohammadreza, A., Mehrani, R., Reza, T., Sharma, S. (2021). Comparison of machine learning methodologies for predicting kinetics of hydrothermal carbonization of selective biomass. Biomass Conversion and Biorefinery.
• Sharma, D., Kare, A., Valsaraj, K., Sharma, S. (2021). Intensification of a Neutralization Process for Waste Generated from Ion Exchange Regeneration for Expansion of a Chemical Manufacturing Facility. Processes; 9: 1285. .
• Aghaaminiha, M., Farnoud, A., Sharma, S. (2021). Quantitative relationship between cholesterol distribution and ordering of lipids in asymmetric lipid bilayers. Soft Matter; 17: 2742. .
• Mehrani, R., Sharma, S. (2021). Behavior of water confined between hydrophobic surfaces with grafted segments. Colloid and Interface Science Communications; 40: 100355. .
• Khan, M., Singh, H., Sharma, S., Cimatu, K. (2020). Direct Observation of Adsorption Morphologies of Cationic Surfactants at the Gold Metal–Liquid Interface. 22. The Journal of Physical Chemistry Letters; 11: 9901-9906. .
• Ko, X., Olivo, J., Brown, B., Nesic, S., Sharma, S. (2020). Experiments and Molecular Simulations to Study the Role of Co-adsorption of Oil in Corrosion Inhibitor Films in Improving Corrosion Mitigation. CORROSION; 76: .
• Ko, X., Sharma, S. (2020). A Quantitatively Accurate Theory to Predict Adsorbed Configurations of Asymmetric Surfactant Molecules on Polar Surfaces. 26. The Journal of Physical Chemistry B; 124: 5517 - 5524. .
• Singh, H., Sharma, S. (2020). Free Energy Profiles of Adsorption of Surfactant Micelles at Metal-Water Interfaces. Molecular Simulation.
• Singh, H., Sharma, S. (2020). Disintegration of Surfactant Micelles at Metal-Water Interfaces Promotes their Strong Adsorption. .
• Sharma, S., Singh, H., Ko, X. (2019). A Quantitatively Accurate Theory to Predict Adsorbed Configurations of Linear Surfactants on Polar Surfaces. 34. The Journal of Physical Chemistry B; 123: 7464-7470. .
• Khosravi, Z., Sharma, S., Farnoud, A. (2019). Sub-micron polymeric particles accelerate insulin fibrillation by surface adsorption. 2. Biointerphases; 14: 021001.
• Carey, H., Hildreth, 3rd, B., Samuvel, D., Thies, K., Rosol, T., Toribio, R., Charles, J., Ostrowski, M., Sharma, S. (2019). Eomes partners with PU.1 and MITF to Regulate Transcription Factors Critical for osteoclast differentiation.. iScience; 11: 238-245.
• Ghasemi, M., Ramsheh, S., Sharma, S. (2018). Quantitative assessment of thermodynamic theory in elucidating behavior of water under hydrophobic confinement. Journal of Physical Chemistry B; .
• Sharma, S., Ko, X., Kurapati, Y., Himanshu, S., Nesic, S. (2018). Adsorption behavior of organic corrosion inhibitors on metal surfaces – some new insights from molecular simulations. Corrosion; .
• Kurapati, Y., Sharma, S. (2018). Adsorption free energies of imidazolinium-type surfactants in infinite dilution and in micellar state on gold surface. Journal of Physical Chemistry B; 122: 5933-5939. .
• Ko, X., Sharma, S. (2017). Adsorption and self-assembly of surfactants on metal-water interfaces. 45. Journal of Physical Chemistry B; 121: 10364 - 10370. .
• Remsing, R., Xi, E., Vembanur, S., Sharma, S., Debenedetti, P., Garde, S., Patel, A. (2015). Pathways to dewetting in hydrophobic confinement. Proceedings of the National Academy of Sciences U.S.A.; 112: 8181-8186. .
• Sharma, S., Buldyrev, S., Debenedetti, P., Rossky, P., Stanley, E., Kumar, S. (2013). A coarse grained protein model in water – like solvent. Nature Scientific Reports; 3: 1841. .
• Sharma, S., Debenedetti, P. (2012). Free energy barriers to evaporation of water in hydrophobic confinement. 44. The Journal of Physical Chemistry B; 116: 13282 - 13289. .
• Radhakrishna, M., Sharma, S., Kumar, S. (2012). Enhanced Wang Landau sampling of adsorbed protein conformations. 11. The Journal of Chemical Physics; 136: 114114. .
• Sharma, S., Debenedetti, P. (2012). Evaporation rate of water in hydrophobic confinement. 12. Proceedings of the National Academy of Sciences U.S.A.; 109: 4365 - 4370. .
• Anand, G., Sharma, S., Dutta, A., Kumar, S., Belfort, G. (2010). Conformational transitions of adsorbed proteins on surfaces of varying polarity. 13. Langmuir; 26: 10803-10811. .
• Sharma, S., Berne, B., Kumar, S. (2010). Thermal and structural stability of adsorbed proteins. 4. Biophysical Journal; 99: 1157-1165. .
• Anand, G., Sharma, S., Kumar, S., Belfort, G. (2009). Stability of Tethered Proteins. 9. Langmuir; 25: 4998-5005. .
• Sharma, S., Kumar, S. (2008). Finite size effects on locating conformational transitions for macromolecules. The Journal of Chemical Physics; 129: 134901. .

Journal Article, Professional Journal (1)

• 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. Corrosion Journal.

Book, Chapter in Textbook (1)

• Singh, H., Sharma, S. (2023). Understanding the Adsorption Behaviour of Corrosion Inhibitors on Metal–Water and Air–Water Interfaces from Molecular Simulations. 1. Taylor & Francis Group; 51-73. .

Conference Proceeding (3)

• Ko, X., Sharma, S. (2020). Adsorption and Self-Assembly of Corrosion Inhibitors on Metallic Surfaces Studied Using Molecular Simulations. NACE Corrosion 2020.
• Singh, H., Sharma, S. (2020). Designing Corrosion Inhibitors with High Aqueous Solubility and Low Tendency towards Micellization: A Molecular Dynamics Study. NACE Corrosion 2020.
• Singh, H., Kurapati, Y., Sharma, S. (2019). Aggregation and Adsorption Behavior of Organic Corrosion Inhibitors studied using Molecular Simulations. NACE Corrosion; 12953.