Postdoc: Bond Decomposition in Chemical Simulations

DTU — Technical University of Denmark; Denmark; Remote; DKK 420,000 - 520,000; Full time

Job summary

DTU Chemistry seeks a postdoctoral researcher to advance theoretical and computational methods, implementing them in optimized codes and applying them to chemical problems. The role includes collaboration within a thriving lab and mentoring students, with strong emphasis on clear written and spoken English.

Candidates should hold a PhD and demonstrate motivation for front-line theory in a scientifically excellent academic environment at DTU in the Copenhagen area.

Qualifications

• PhD in a relevant field (chemistry, physics, or related).
• Strong background in theoretical and computational methods; ML background encouraged.
• Proven programming skills with interest in electronic-structure theory.

Responsibilities

• Develop theoretical and computational methods and implement them in optimized codes.
• Apply methods to large-scale chemical problems and validate results.
• Train B.Sc., M.Sc. and PhD students in the lab and collaborate within the team.
• Communicate clearly in written and spoken English.

Skills

Theoretical chemistry

Computational chemistry

Machine learning

Programming

Education

PhD

Tools

Python

Fortran

C++

Job description

DTU Chemistry seeks a postdoctoral researcher to advance theoretical and computational methods, implementing them in optimized codes and applying them to chemical problems. The role includes collaboration within a thriving lab and mentoring students, with strong emphasis on clear written and spoken English.

Candidates should hold a PhD and demonstrate motivation for front-line theory in a scientifically excellent academic environment at DTU in the Copenhagen area.