Postdoc: Uncover Bond Roles in Molecular Simulations

DTU - Technical University of Denmark; Kongens Lyngby; On-site; DKK 450,000 - 600,000; Full time

Job summary

DTU Chemistry invites applications for a postdoctoral position in computational chemistry, focusing on developing new decompositions of molecular properties and interpretative tools. The role combines theory, method development, and large-scale applications in a dynamic academic environment in the greater Copenhagen area.

The ideal candidate has a PhD in theoretical/computational chemistry or a related field, with strong programming skills and an interest in bringing machine learning into

Qualifications

• PhD degree (or equivalent) in a relevant field such as theoretical/computational chemistry, physics, or related areas.
• Strong background in theory and computation; experience with machine learning in chemical/physical sciences is advantageous.
• Proven programming skills and motivation to conduct advanced electronic-structure theory research.

Responsibilities

• Develop theoretical and practical methodological developments within the BONDS project.
• Implement methods within optimized computer codes and apply them to chemical problems of interest.
• Assist in training B.Sc., M.Sc., and PhD students and collaborate with a multidisciplinary team.

Skills

Theoretical chemistry

Computational chemistry

Machine learning

Programming

Education

PhD degree

Tools

Python

C++

MPI

Job description

DTU Chemistry invites applications for a postdoctoral position in computational chemistry, focusing on developing new decompositions of molecular properties and interpretative tools. The role combines theory, method development, and large-scale applications in a dynamic academic environment in the greater Copenhagen area.

The ideal candidate has a PhD in theoretical/computational chemistry or a related field, with strong programming skills and an interest in bringing machine learning into