Curriculum Vitae

Professional Appointments

Mar 2024 – Present

Postdoctoral Research Fellow

Quantum Simulations Group · Supervisors: Tuan Anh Pham and Matthew McNenly

Nov 2021 – Feb 2024

Postdoctoral Research Fellow

Chemistry and Materials · Supervisors: Bingqing Cheng and Maria Ibáñez

Sep 2020 – Aug 2021

Postdoctoral Research Fellow

School of Physics · Supervisor: Nuala M. Caffrey

Oct 2017 – Jul 2021

PhD Chemistry and Chemical Engineering

Supervisors: Peijun Hu and Jillian Thompson

Oct 2013 – Jul 2017

MSci Chemistry, First Class

School of Chemistry and Chemical Engineering

Adriana Ladera — visiting PhD student from MIT, LLNL, Jun–Aug 2026. Ab initio identification of candidate molecules from infrared spectra.
Anna Smirnova — research intern, ISTA, Oct–Dec 2023. Physics-based descriptors for nanoparticle catalysts; now a PhD student at the University of Cambridge.
Felix Wodaczek — research intern, ISTA, Feb 2022–Jan 2023. Single-atom alloy nanoparticle catalysis; co-authored a JACS paper and is now a PhD student at ISTA.
Tina Torabi — research intern, ISTA, Dec 2021–Apr 2022. Single-atom alloy nanoparticle catalysis; co-authored a JACS paper and is now a PhD student at the University of British Columbia.
Samuel Shepherd — master's student, Queen's University Belfast, Dec 2018–Apr 2019. ReaxFF potentials for CO oxidation on platinum; subsequently completed a PhD at Queen's University Belfast.

Meta FAIR | Apr 2026Online Graph Kinetic Monte Carlo
UC Berkeley BIDMaP, Emerging Scholars Seminar | Nov 2025Bridging Theory and Experiment: Modeling Complex Chemical Systems Across Scales
Cambridge University Soft Matter Group | Oct 2021
Dublin Universities Condensed Matter Group | Mar 2021

ACS Fall 2026 | Aug 2026Coupling catalyst activity and degradation: Modeling oxygen evolution reaction with surface dissolution on IrO₂(110)
29th AACG Western Section Conference on Crystal Growth & Epitaxy | Jun 2026Coupling catalyst activity and degradation: Modeling oxygen evolution reaction with surface dissolution on IrO₂(110)
24th American Conference on Crystal Growth and Epitaxy | Jul 2025Contrails from First Principles
NLR Sustainable Aviation Fuel Meeting | Aug 2024
UK Catalysis Conference | Jan 2019

Noxfuel — NLR computing allocation (PI), Oct 2025. One-year allocation: 1,596,000 allocation units (AUs). Investigates how NOₓ interactions affect combustion predictions.
Snowflake — NLR computing allocation (PI), Oct 2024. One-year allocation: 1,670,160 AUs. Investigates ice nucleation on soot and how particles from different fuels contribute to contrail formation.