Past Undergraduate Theses


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1. "Effect of Explicit and Implicit Solvents in the Binding Free Energies of Protein Complexes"(competed) 2020

Link to Thesis

2. "Computational modelling of water clusters relevant to the molecular mechanism of thunderclouds"(competed) 2020
Awards Recieved : Outstanding Oral Presentation in Physical, Theoretical and Computational Chemistry, SOUSCC 2020

3. "Exploration of the Effects of Confinement on the Structure and Binding Energy of Protein Complexes with Molecular Dynamics"(competed) 2020

Link to Thesis

4. "The Implementation of Machine Learning to Predict the Solubility of Simple Organic Molecules"(competed) 2020
Awards Recieved : Alumni Gold Medal, Chemistry, UWO

Link to Thesis

5. "A computational characterization of the distribution of multi-valent ions within highly charged aerosol droplets"(competed) 2020

6. "Modelling of proton transfer reactions in a bulk solution of acetonitrile molecules using path integral method"(competed) 2020

Link to Thesis

7. "Modelling of protein-protein interactions."(competed) 2019

8. "Protein interaction networks."(competed) 2019

9. "Effect of ions in the stability of protein complexes."(competed) 2019

10. "Interplay between hydrophilic/hydrophobic interactions in droplets."(competed) 2018 Awards Recieved : Accepted for graduate studies in computational chemistry in the Penn State University, US.

11. "Do star formations of droplets establish a growth pattern for snowflakes?"(competed) 2017

12. "Modelling of the interactions of proteins in vapour-liquid interface."(competed) 2017

13. "Characterization of the "star" morphologies of charged droplets"(competed) 2016

14. "Treatment of Electrostatic Interactions in Molecular Simulations"(competed) 2015

15. "Monte Carlo Modelling of Charged Nanodroplets"(competed) 2014

16. "Effect of charge distribution on the stability of droplets"(competed) 2014
Awards Recieved :
(i) 2nd Prize for his presentation on the thesis project in the SOUSCC conference, Analytical Chemistry Session, March 29, 2014, University of Windsor and
(ii) Hypercube Scholar Award, UWO)

17. "Interactions of complexes of macromolecules in charged nanodroplets"(competed) 2014 Awards Recieved :
(i) 1st Prize in the SOUSCC conference, Physical Chemistry Session, March 29, 2014, University of Windsor,
(ii) received the Ontario Graduate Scholarship but declined,
(iii) Western Gold Medal for Honours Specialisation in Chemical Biology

18. "Charge-Induced Instability in Droplets with Charged Macromolecular Complexes - Study of siRNA in Aqueous Droplets"(competed) 2013

19. "Computational modeling of the Solvation and Diffusion of Doxorubicin and Fluorouracil in Water"(competed) 2012

20. "Analysis of the structure of PEG-(Na+)n in a water droplet by molecular dynamics."(competed) 2011

21. "Molecular dynamics methods for simple Lennard-Jones systems and applications in diffusion in zeolites"(competed) 2009

22. "Sampling of reactive paths for computations of reaction rates in the condensed phase. Applications in reactions in clusters."(competed) 2005

23. "Equilibrium and dynamic properties of peptides in solution."(competed) 2005

24. "Molecular Dynamics study of alanine dipeptide in aqueous neutral and charged droplets."(competed) 2004 Awards Recieved : Gold Medal, Biochemistry, UWO

25. "Testing of Sampling methods for reactive paths for computations of reaction rates in solution."(competed) 2004

26. "Properties of (NH3)(H2O)n(n = 1 - 4) clusters on a carbon nanotube and confinement effects on the structure of a fluid"(competed) 2004

27. "Fragmentation processes of charged droplets."(competed) 2002

28. "Efficient Monte Carlo schemes for computer simulations of polymer systems."(competed) 2002

29. "Diffusion dynamics in liquid clusters."(competed) 2000
Awards Recieved:
First prize in Physical Chemistry in the conference of Southwestern Ontario Universities for fourth year undergraduate student projects.

30. "Automated keyword search in scientific literature."(competed) 2020