Postdoctoral Research Associate in Electrocatalysis
Core
Computational research in electrocatalysis for externally funded GETCO2 projects, collaborating with experimental researchers to study reaction mechanisms and catalytic performance.
Role type
Postdoctoral Research Associate (Computational Electrocatalysis)
Builds
Research outcomes, publications, and student mentoring
Domain
Chemical engineering / Materials science / Electrochemistry
Deliverable
research
Required skills
DFT, Python, ASE, Linux/HPC, data analysis, electrochemistry, interfacial reaction mechanisms
Preferred skills
machine-learning interatomic potentials, microkinetic modelling, constant-potential simulations, ab initio molecular dynamics
Technologies
VASP, Quantum ESPRESSO, CP2K, GPAW, MACE, NequIP, GAP, DeePMD, CatMAP
Responsibilities
Perform first-principles/DFT studies of electrocatalytic reactions and catalyst surfaces; develop reproducible atomistic simulation and high-throughput workflows; analyse electrochemical free-energy landscapes; apply machine-learning interatomic potentials and microkinetic models; collaborate with experimental researchers, publish, and mentor students.
Seniority
Postdoctoral (early-career researcher)