PhD
Keka Mandal
Ph.D. (2023) University of Virginia, Chemical Engineering
Thesis: Investigating the Stability and Modes of Deactivation of Metal-Exchanged Zeolites Via Computational Modeling
Next Step: Modelling Scientist at Johnson Matthey
Anukriti Shrestha
Ph.D. (2024) University of Virginia, Chemical Engineering
Thesis: Size-dependent Thermodynamic Analyses for Transition Metal Carbides and Supported Oxides
Next Step: Tenure-track Faculty at Lafayette College
Asanka Wijerathne
Ph.D. (2024) University of Virginia, Chemical Engineering
Thesis: Computational Modeling of Activation and Deactivation of Supported Metal Catalysts
Next Step: Postdoctoral Position at Paolucci Group
Anna Sviripa
Ph.D. (2024) University of Virginia, Chemical Engineering
Thesis: Silver Oxidation and Oxygen Speciation in Ethylene Epoxidation
Next Step: Industry Position
Masters
Xutao Gao
M.S. (2020) University of Virginia, Chemical Engineering
Thesis: Nanoparticle Size Effects for Computed Phase Equilibria in Molybdenum and Tungsten Carbides
Next Step: University of Hong Kong, PhD
Changming Liu
M.S. (2021) University of Virginia, Chemical Engineering
Thesis: Computational and Experimental Insights Into Reactive Forms of Oxygen Species on Dynamic Ag Surfaces Under Ethylene Epoxidation Conditions
Next Step: Computer Engineering as a MS student with plans to join industry after graduation.
Gabriel Dickey
M.E. (2023) University of Virginia, Chemical Engineering
Project: Applying DFT and machine learning to study Nitrogen-doped Carbon Catalysts, and in particular, the molecular nature of Cobalt single atom active sites in these catalysts.
Ching-Heng Tai
M.E. (2024) University of Virginia, Chemical Engineering
Project: Dynamic Catalysis
Undergraduate Students
Sarah Bhargava
B.S. (2023) University of Virginia, Chemical Engineering
Projects: Titanium oxide supported catalysts for different coverages of WO3
Anupama Jayaraman
B.S. (2023) University of Virginia, Chemical Engineering
Projects: DFT calculations to study single atoms and nanoparticles of platinum and palladium, via zeolites, for hydrocarbon upgrading
Kijeong (Tim) Nam
B.S. (2023) University of Virginia, Chemical Engineering
Projects: Calculating energies for C-H activation for arenes using homogeneous catalysts
Isabelle Deadman
B.S. (2023) University of Virginia, Chemical Engineering
Projects: Computational methods to examine the differences between Cu-SAPO-34 and Cu-SSZ-13 zeolites as catalysts in SCR
Allison Sawyer
B.S. (2023) University of Virginia, Chemical Engineering
Projects: Modeling two dimensional Zeolite surfaces to assess stability and ability to be used in catalysis
Shining Wang
B.S. (2022) University of Virginia, Chemical Engineering
Projects: Phase diagrams for transition metal carbides
Susan Furlough
B.S. (2022) University of Virginia, Chemical Engineering
Projects: Phase diagrams for transition metal carbides.
Karl Westendorff
B.S. (2021) University of Virginia, Chemical Engineering
Projects: Energetics of NO and H2O adsorption on Pd zeolites
Next Step: Massachusetts Institute of Technology, PhD
Peter Sepulveda
B.S. (2021) University of Virginia, Chemical Engineering
Projects: Utilizing manganese zeolites for use in the selective catalytic reduction of nitrogen oxides
Next Step: Appian
William McDevitt
B.S. (2021) University of Virginia, Chemical Engineering
Projects: Computational approach to determine how the type of hydrocarbon species influences N2O formation over a diesel oxidation catalyst
Next Step: Masters in Data Science, UVA
Michael Schapowal
B.S. (2020) University of Virginia, Chemical Engineering
Projects: Modeling active sites of cobalt single-atom catalysts on nitrogen-doped carbon, ion-pai interactions in perovskite environments
Next Step: DC Energy
Amna Tahir
B.S. (2020) University of Virginia, Chemical Engineering
Projects: Impact of 2D perovskites on electronic properties of TIPS-pentacene, electronic properties of mixed-cation perovskites
Next Step: Northrop Grumman
Jonathan Zheng
B.S. (2020) University of Virginia, Chemical Engineering
Projects: Simulating Raman spectra of zeolite catalysts for partial methane oxidation
Next Step: Massachusetts Institute of Technology, PhD
Olivia Wilkinson
University of Virginia, Chemical Engineering, (B. S. (2024), expected)
Project: Calculating the acid strength of different lewis acidic zeolites
Brian Song
University of Virginia, Chemical Engineering, (B. S. (2024), expected)
Project: Zeolite catalysts interactions with varying solvents through MD simulations