Group Members
We are looking for new PhD students, Postdocs, and Master students to join the team (see openings) !
Former PhD, MSc, BSc students, visitors
Graduate Students
Han Nguyen
Victor Kwan
Myong In Oh
Assistant Professor, Memorial U
Mahmoud Sharawy
Research Associate, Department of Molecular & Cell Biology, University of Connecticut
D. A. Ragab
Faculty member, University of Alexandria, Egypt
Danyang Mei
Kirk Mainer
Faikah Ogeer
High School Teacher
William Novak
Postdoctoral Fellows
Dr. Jihong Shi
Dr. Serge Ayissi
Dr. Jun Kyung Chung
Dr. Zhang Hui
Dr. Maxim Paliy
Dr. Kengo Ichiki
Dr. George Fanourgakis
Dr. Ashok Kumar Das
Summer Research Interns
Marko Voronych NSERC-USRA 2025
Kylie Ropret NSERC-USRA 2024
Falana Sheriff NSERC-USRA 2013
Edward Lam NSERC-USRA 2004
Minh Tran NSERC-USRA 2003-2004
S. Lam NSERC-USRA 2004
Mateo Pescador Arboleda MITACS
Universidad del Valle, Colombia
Shrikrushna Govind Dumbre MITACS
IISER Bhopal, India
Abhishek Malyan MITACS
Indian Institute of Technology, Bombay
Urvish Mehta MITACS
Birla Institute of Technology and Science, Pilani
Rakshithbt Gowda MITACS
Indian Institute of Technology, Kharagpur
Pranav Ballaney MITACS
Birla Institute of Technology and Science, Pilani, KK Birla Goa Campus
Titiksha MITACS
Indian Institute of Technology, Guwahati
Nagappan Nataraja Chockalingam MITACS
Indian Institute of Technology, Madras, India
Shoubhik R Maiti MITACS
Department of Chemistry, University of Sheffield, UK
Anand Ashutosh MITACS
Delhi Technological University, India
Jiahua Tan MITACS
Nankai University, China
4th-year Thesis Students
Vanson Nguyen (2025)
Yazan Alazraq (2025) The automation of cone angle calculation in “star”-shaped charged droplets
Margaret Petrova (2025) Molecular modelling of the structural distortions in ion-doped hexagonal ice
Alumni Gold Medal, Department of Chemistry, UWO
Abhinav Singareddy (2024) Hydration patterns on AAV2 Capsid - A molecular dynamics study for enhanced gene therapy vector design
Datis Azarpazhooh (2024) Molecular dynamics of AAV2 in aerosolized environments
Alan Dziuba (2024) Interactions of protein with water at supercooling
Matthew Rossini (2023) Solvation of aromatic hydrocarbons in supercooled aqueous droplets
Nicholas Bainbridge (2023) Stability of protein complexes in solution
Mingyeong Jung (2023) Effect of low temperature in the protein interactions
Amber Wu (2023) On the Origins of Life - Modelling the initial stages of complex coacervate droplet formation
Poster award in the Medical Biophysics Symposium; Western Libraries Undergraduate Research Awards 2023
Binhang Zhu (2022) Intrinsically disordered proteins in supercooled solution
Emmeline Rittau (2022) The Mechanism of β-Trypsin and BPTI Encounter Complex Formation in Solution
Michael Thompson (2021) Path Integral Molecular Dynamics of the Proton Transfer Reaction between Triptophan and Histidine
Wenhan Zhang (2021) Study of Cholera Toxin Assembly Mechanism by Molecular Dynamics
Katarina Alberchtas (2020) Effect of Explicit and Implicit Solvents in the Binding Free Energies of Protein Complexes
Nadreen Elsawish (2020) Computational modelling of water clusters relevant to the molecular mechanism of thunderclouds
Outstanding Oral Presentation Award in Physical, Theoretical, & Computational Chemistry, SOUSCC, Ryerson University
David Laur (2020) Exploration of the Effects of Confinement on the Structure and Binding Energy of Protein Complexes with Molecular Dynamics
Ryan O’Dwyer (2020) The Implementation of Machine Learning to Predict the Solubility of Simple Organic Molecules
Alumni Gold Medal, Department of Chemistry, UWO
Jorge Paiz (2020) A computational characterization of the distribution of multi-valent ions within highly charged aerosol droplets
Lu Yang (2020) Modelling of proton transfer reactions in a bulk solution of acetonitrile molecules using path integral method
Xiaoou Li (2020)
Jingjing Han (2019) Protein interaction networks
Andrew Luong (2019) Effect of ions in the stability of protein complexes
Ryan Szukalo (2018) Interplay between hydrophilic/hydrophobic interactions in droplets
Rachel McCormack (2017) Do star formations of droplets establish a growth pattern for snowflakes?
Role model student in the year (Departmental)
Sarai Guerrero (2017) Modelling of the interactions of proteins in vapour-liquid interface
Alexander Tumanov (2016) Characterization of the “star” morphologies of charged droplets
Nicole Maione (2015) Treatment of Electrostatic Interactions in Molecular Simulations
Eric Chiu (2014) Monte Carlo Modelling of Charged Nanodroplets
Filipe de Souza (2014) Effect of charge distribution on the stability of droplets
2nd Prize, SOUSCC conference, Analytical Chemistry Session; Hypercube Scholar Award, UWO
Falana Sheriff (2014) Interactions of complexes of macromolecules in charged nanodroplets
1st Prize, SOUSCC conference, Physical Chemistry Session; Western Gold Medal for Honours Specialisation in Chemical Biology
Matthew Turnbull (2013) Charge-Induced Instability in Droplets with Charged Macromolecular Complexes - Study of siRNA in Aqueous Droplets
Adrian Levine (2012) Computational modeling of the Solvation and Diffusion of Doxorubicin and Fluorouracil in Water
Natasha Yusyp (2011) Analysis of the structure of PEG-(Na+)n in a water droplet by molecular dynamics
Ben Lee (2009) Molecular dynamics methods for simple Lennard-Jones systems and applications in diffusion in zeolites
Binh Van (2005) Sampling of reactive paths for computations of reaction rates in the condensed phase. Applications in reactions in clusters
Monika Wiktorowicz (2005) Equilibrium and dynamic properties of peptides in solution
Minh Trang Tran (2004) Molecular Dynamics study of alanine dipeptide in aqueous neutral and charged droplets
Edward Lam (2004) Testing of Sampling methods for reactive paths for computations of reaction rates in solution
Simone Lam (2004) Properties of (NH3)(H2O)n (n=1-4) clusters on a carbon nanotube and confinement effects on the structure of a fluid
Kirk Mainer (2002) Fragmentation processes of charged droplets
Faikah Ogeer (2002) Efficient Monte Carlo schemes for computer simulations of polymer systems
Derek Hunter (2000) Diffusion dynamics in liquid clusters
First prize in Physical Chemistry, SOUSCC