Postdoc: Bond-Centric ML for Chemical Simulations

Freelio; Denmark; On-site; DKK 320,000 - 420,000; Full time

Job summary

DTU Chemistry in the greater Copenhagen area invites applications for a postdoctoral scholar to develop novel machine-learned approaches for interpreting molecular simulations. You will implement theory in optimized code and apply methods to challenging chemical problems, collaborating with a vibrant, international team.

Applicants should hold a PhD in theoretical/computational chemistry, physics, or related fields, with strong programming skills and an interest in chemistry-informed design.

Qualifications

• PhD in theoretical/computational chemistry, physics or related field.
• Strong computational skills and programming ability.
• Experience with machine learning and data analysis is desirable.

Responsibilities

• Develop theory and methods for molecular property decomposition.
• Implement algorithms in optimized code for large-scale simulations.
• Collaborate with DTU Chemistry group to apply methods to chemical problems.

Skills

Theoretical chemistry

Computational chemistry

Physics

Machine learning

Statistics

Programming

Education

PhD degree

Tools

Python

Job description

DTU Chemistry in the greater Copenhagen area invites applications for a postdoctoral scholar to develop novel machine-learned approaches for interpreting molecular simulations. You will implement theory in optimized code and apply methods to challenging chemical problems, collaborating with a vibrant, international team.

Applicants should hold a PhD in theoretical/computational chemistry, physics, or related fields, with strong programming skills and an interest in chemistry-informed design.