Postdoc: Computational Lead for e-DAC CO2 Conversion

DTU - Technical University of Denmark; Kongens Lyngby; On-site; DKK 389,000 - 583,000; Full time

Job summary

DTU Energy seeks a postdoctoral researcher to advance computational design and analysis of redox-active materials for integrated electrochemical direct air capture and CO2 conversion. The role blends high-level modeling with experimental validation in collaboration with a DTU Energy team.

The candidate will develop molecular- and system-level insights, mentoring junior researchers and contributing to interdisciplinary work spanning computation and experiment.

Qualifications

• PhD in a relevant field with a strong publication record.
• Experience in electrochemical CO2 capture, CO2 conversion, or integrated capture–conversion.
• Ability to work independently and in a team; strong communication.
• Experience with DFT and Python is a plus.

Responsibilities

• Lead the computational design and analysis of redox-active materials and electrochemical systems for integrated e-DAC.
• Develop molecular- and system-level understanding to improve efficiency, stability and energy performance.
• Perform computational modeling, data analysis and visualization, and collaborate with experimental teams.
• Mentor junior researchers and contribute to interdisciplinary projects.

Skills

Electrochemistry

CO2 capture

CO2 conversion

Organic chemistry

Computational chemistry

Molecular modeling

DFT calculations

Python

English communication

Education

PhD in Chemical Engineering/Materials Science/Engineering/Computational Chemistry/Organic Chemistry/Electrochemistry

Job description

DTU Energy seeks a postdoctoral researcher to advance computational design and analysis of redox-active materials for integrated electrochemical direct air capture and CO2 conversion. The role blends high-level modeling with experimental validation in collaboration with a DTU Energy team.

The candidate will develop molecular- and system-level insights, mentoring junior researchers and contributing to interdisciplinary work spanning computation and experiment.