My client is looking for a computational chemist with experience modelling surface and adsorbate interactions, particularly where external stimuli drive surface modification. Building and refining simulation frameworks across a range of material systems, incorporating activation mechanisms, defect formation, and their impact on downstream performance.
PhD in Computational Chemistry, Physics, or a related discipline, with a strong emphasis on quantum-level modelling (e.g. surface chemistry, bond dissociation, adsorbate systems).
Hands-on experience with quantum simulation approaches such as density functional theory (DFT), molecular orbital methods, or similar techniques.
Exposure to surface modification driven by photons, electrons, or other energetic particles.
~1–2 years of postdoctoral or industry experience.
~ Experience working alongside experimental teams or in lab-based environments.
~ Proficiency in Python or similar scientific computing tools.
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