Atmospheric Photochemistry: Computational Research Associate

Opportunita; West of England; Hybrid; GBP 41,000 - 46,000; Full time

Job summary

University of Bristol invites applications for a Research Associate in Computational and Theoretical Photochemistry. Based in the School of Chemistry, you will explore VOC photochemistry at air–water interfaces using advanced dynamics and ML potentials.

The role focuses on developing theories and simulations, with a strong emphasis on accurate electronic-structure benchmarking and interface modelling. A PhD and strong English communication are required.

Qualifications

• PhD in Physical Chemistry or Physics with relevant research experience.
• Experience with atmosphere-related modelling in complex environments is desirable.
• Experience with MD, Born–Oppenheimer dynamics, path-integral dynamics or ML-driven potentials.

Responsibilities

• Undertake theoretical and computational studies of VOCs at air–water interfaces and aqueous aerosols.
• Train machine-learned interatomic potentials for VOC–water interactions.
• Perform ground-state dynamics using quantum-thermostat Born–Oppenheimer MD and path-integral MD.
• Compute photoabsorption cross-sections from distributions after benchmarking electronic-structure methods.

Skills

Molecular dynamics

Born–Oppenheimer dynamics

Path-integral dynamics

Machine-learned interatomic potentials

Coding & scripting

Education

PhD in Physical Chemistry or Physics

Tools

Python

Data analysis tools

Job description

University of Bristol invites applications for a Research Associate in Computational and Theoretical Photochemistry. Based in the School of Chemistry, you will explore VOC photochemistry at air–water interfaces using advanced dynamics and ML potentials.

The role focuses on developing theories and simulations, with a strong emphasis on accurate electronic-structure benchmarking and interface modelling. A PhD and strong English communication are required.