PhD scholarship in Machine Learning-Accelerated Reaction Mechanism Discovery - DTU Energy
DTUDenmark
Posted March 18, 2026
Full Time
About the Company
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals.
Job Description
Join a young research group dedicated to transforming materials discovery from empirical exploration to predictive design. Work on developing synergistic workflows to model dynamic, multi-phase systems and overcome the limitations of current simulation methods by enhancing machine learning interatomic potentials and developing ML approaches to model rare events and complex environments.
Requirements
- A background in computer science, chemistry, physics, materials science, or a related field.
- Experience with deep learning frameworks, preferably in the context of generative models.
- Experience with atomistic simulations and quantum chemical calculations.
- Interest in software development and automating computational workflows.
- Curiosity for understanding fundamental reaction mechanisms and atomistic processes.
- Interest in applying theoretical models and ML to solve fundamental scientific problems.
- Willingness to work in an international, interdisciplinary, and collaborative team.
Benefits
- Generous Paid Time Off
- 401k Matching
- Retirement Plan
- Visa Sponsorship
- Four Day Work Week
- Generous Parental Leave
- Tuition Reimbursement
- Relocation Assistance