Members

Principal Investigator

Chris Paolucci

Chris is an Assistant Professor in the Department of Chemical Engineering at the University of Virginia. He completed his B.S. and Ph.D. in Chemical Engineering at the University of Notre Dame. His research uses quantum and classical simulation methods, while also developing hybrid approaches that bridge micro- and macroscopic length scales through machine learning, Monte Carlo simulation, and related techniques to understand catalytic reactions and reaction environments.

Google Scholar UVA Bio

Graduate Students

Sugandha Verma

M.Tech. (2020) Indian Institute of Technology, Chemical Engineering
B.E. (2018) MBM Engineering College, Chemical Engineering

I joined Paolucci Group in the Fall of 2020. My research focuses on understanding the kinetics and mechanism of N2O formation on supported metal catalysts. I did my Masters in Chemical Engineering from Indian Institute of Technology, where I explored the dried droplet patterns of human serum albumin, under the guidance of Prof. Sunando DasGupta. Outside of research, I enjoy cycling, swimming, painting and reading.

Kelsey Levine

B.S. (2022) Cornell University

I joined the Paolucci Lab in fall of 2023. My research uses molecular dynamics and quantum mechanical situations to study the effect of local electric fields on catalytic active sites in zeolites. I received my B.S. in Chemical Engineering from Cornell University, where I researched pulsed electrochemical CO2 reduction in Prof. Tobias Hanrath’s lab. Outside of research, I enjoy drawing, painting, playing my guitar, fostering rescue cats, and training/rehabilitating birds of prey.

Maria Victoria Zuniga

B.S. (2019) Petroleum Engineering, Universidad Nacional de Colombia

I joined the Paolucci Lab in the fall of 2023. My research applies molecular dynamics simulations and machine learning-based potentials to study noble metal nanoparticles' surface and subsurface structure evolution during catalytic oxidation reactions. During my undergraduate, I explored the physicochemical properties of crude oil, liquid fuels, and biofuels in the Crude Oil and Derivatives Lab. Later, I designed directional and horizontal well trajectories as a Well Planning intern in Sperry Drilling Services, Halliburton. Post-graduation, I joined the area of Project Management for Workover and Well Service operations. Outside of research, I enjoy dancing salsa, cooking, watching shows, and traveling.

Mohan Shankar

B.S. (2024) University of Virginia, Chemistry

I joined the Paolucci Group in the Summer of 2024 with a focus on solvent effects in zeolites. One focus of my undergraduate research was creating a baseline for quantum mechanical transition state theories. The other project was centered on molecular dynamics simulations to ascertain properties of a novel interatomic potential. When I'm not working, I like to take walks and teach myself guitar.

Jason Lu

B.A. Mathematics, University of Pennsylvania
B.S.E. Chemical and Biomolecular Engineering, University of Pennsylvania

As a member of the Paolucci group since the fall of 2024, I’m studying nanoparticle encapsulated zeolite systems using computational methods. I first dipped my toes into the field of computational catalysis in undergrad, where I joined Professor Aleksandra Vojvodic’s group and studied the activity and stability of catalysts in the oxygen evolution reaction. In my free time, I like to watch random clips on YouTube, study foreign languages, and walk in new and old areas.

Brundhaa Sree Singarasu Kamalarajan

B.Tech. (2025), Chemical and Electrochemical Engineering, Central Electrochemical Research Institute, Tamil Nadu, India

I joined the Paolucci Group in Fall 2025. My research focuses on understanding the fundamentals of gas molecule adsorption on metal nanoparticles. During my undergraduate studies, I worked extensively on electrochemical power sources. Outside of research, I enjoy watching movies, playing games, craft work, and exploring new places.

Stanley Akpu

B.S. (2025) Chemical Engineering, Nnamdi Azikiwe University, Nigeria

I joined Paolucci Group in the Fall of 2025. My research combines modulation excitation spectroscopy with microkinetic modeling to study catalytic mechanisms and to design better catalysts. I completed my undergraduate degree in Chemical Engineering at Nnamdi Azikiwe University, Nigeria. I enjoy listening to music, doing my regular workout routines, and watching comedy videos.

Postdoctoral Fellows

Asanka Wijerathne

Ph.D. (2024) University of Virginia, Chemical Engineering
B.Sc. (2017) University of Peradeniya, Chemical and Process Engineering

I joined the Paolucci group in the fall of 2019. My research focuses on predicting the relative stabilities of metal exchanged zeolites and ultimately, computationally discovering the Zeolite Interconversion Synthesis Pathways. Aside from research, I enjoy reading, watching movies and playing chess.

Undergraduate Students

Eddie Macgill

University of Virginia, Chemical Engineering, B.S. expected 2027

I joined the Paolucci group in the Spring of 2025. My research includes using computational methods to calculate the energies of specific zeolites regarding carbon dioxide capture. In my free time, I enjoy playing the trombone in the Charlottesville Symphony Orchestra, rock climbing, and enjoying Hoo's Hot Chicken.

Henry Hayden

University of Virginia, Chemical Engineering, B.S. expected 2027

I joined the Paolucci group in the spring of 2025. My research focuses on using computational methods such as density functional theory to study ion exchange affinities in the ETS-10 zeolite. Outside of my studies at UVa, I'm also involved in club swimming and Greek life.

Tucker

University of Virginia, Chemical Engineering, B.S. expected 2028