top of page

Peer Reviewed Publications

    Undergraduate co-authors*, Corresponding author 

  1. A. K. Sharma, S. Arsala*, J. Brady*, M. Franke*, S. Franke*, S. Gandhok*, S. Gingras*, A. Gomez*, K. Huie*, K. Katz*, S. Kozlo*, M. Longoria*, L. Molnar*, N. Peña*, S. Regis*, Machine learning to identify structural motifs in asphaltenes, Results in Chemistry, 101551, 7 (2024).

  2. M. Franke*, S. Arsala*, F. Tahiry*, S. Gingras*, A. K. Sharma, Curated Dataset of Asphaltene Structures, Data in Brief, 52, 109907 (2024).

  3. M. Crowder*, I. Lizarraga*, J. Patterson, A. K. Sharma, Ionic partitioning of KCl in AOT reverse micelles from molecular dynamics simulations, Fluid Phase Equilibria, 574, 113904 (2023).

  4. M. Crowder*, F. Tahiry*, I. Lizarraga*, N. Peña*, S. Rodriguez*, A. K. Sharma, Computational analysis of water dynamics in AOT reverse micelles, Journal of Molecular Liquids, 375, 121340 (2023).

  5. R Choudhury, A. K. Sharma, P. Paudel*, P. Wilson*, A. Pereira*, In situ generation of a zwitterionic fluorescent probe for detection of human serum albumin protein, Analytical Biochemistry, 646, 114630 (2022). 

  6. R. Choudhury, P. Paudel*, A. K. Sharma, S. Webb*, M. Ware*, Evaluating the merit of a syringol derived fluorophore as a charge transfer probe for detection of serum albumins, Journal of Photochemistry and Photobiology A: Chemistry 422, 2021 (113563), 

  7. Victor Ruan*, A. K. Sharma, Polarizability of pyruvate anion in small water clusters, Journal of Computational Biophysics and Chemistry, 20, 3 (2021).

  8. A. K. Sharma, Laboratory Glassware Identification: Supervised machine learning example for science students, Journal of Computational Science Education, 12, 1 (2021).

  9. Arun K. Sharma, M. Hernandez*, V. Phuong*, Engaging students with computing and climate change through a course in Scientific Computing, Journal of STEM Education, 20, 2 (2019).

  10. A. K. Sharma, R. DeCicco, Discovering Isomerism: A guided-inquiry computational exercise for undergraduate, organic chemistry, The Chemical Educator, 23, 39 (2018).

  11. A. K. Sharma, R. Choudhury, J. Persichetti*, E. Tale*, G. Prelvukaj* and T. Cropley*, A computational examination of the binding interactions of Amyloid β and Human Cystatin C, J. Theor. Comput. Chem., 17, 1, (2018).

  12. A. K. Sharma, A model Scientific Computing course for freshman students at liberal arts colleges, Journal of Computational Science Education 8, 2 (2017).

  13. A. K. Sharma and D. E. Wolfgang, The Golden Drain: A stoichiometry case study for General Chemistry, Chem. Educator 21, 77 (2016).

  14. A. K. Sharma, Guided Inquiry and Discovery in General Chemistry: Solubility Product and Common Ion Effect, Chem. Educator 20, 6 (2015).

  15. A. K. Sharma, K. Hammerton*, Comparative study of heavy water models: Solvation of trp-cage, J. Comput.Theor. Nanosci. 12, 113 (2015).

  16. C. H. Mak and A. K. Sharma, Reverse Monte Carlo Methods and Its Implications for Generalized Cluster Monte Carlo Algorithms, Phys. Rev. Lett. 98, 180602 (2007).​

Invited Book Chapters

  1. A. K. Sharma, M. Crowder*, I. Lizarraga*, S. Tiwari*, Engaging Computational Chemistry Modules for Introductory Chemistry Students, In Khanra Jha, S., Shenoy, M.V., Bhattacharyya, T., Seshaiyer, P. (eds) Perspective and Strategies on Newage Education and Creative Learning, October 29, 2024, 65-73. 

  2. A. K. Sharma, V. Ruan*, C. Thuermer*, Learning programming through chemistry in a first-year scientific computing course, Teaching programming across the chemistry curriculum, July 27, 2021, 43 – 56.

  3. A. K. Sharma, L. Asirwatham*, Learning by computing: A first-year honors chemistry curriculum, Using computational methods to teach chemical principles, January 1, 2019, 127–138.

Code Contributions

  1. M. Crowder*, A. K. Sharma, IsodesmicReactionQ, A Wolfram language function to determine if the supplied chemical reaction is isodesmic, 2023, Wolfram Function Repository.

bottom of page