PhD Student in Computational Molecular Design - DTU Chemical Engineering

Official occupation: ph.d., naturvidenskab og teknik. Employment conditions: Almindelige vilkår. Employer CVR: 30060946.

Primary career market

Public Sector, Education & Impact (employer-sector evidence). If you are interested about establishing your career in an interdisciplinary area related to chemical engineering, novel materials design and advanced computational methods and you are looking for the best possible foundation for fulfilling your dreams and ambitions, then you should consider this opportunity.

We invite you to apply for a PhD position on a newly established project at the Center of Energy Resources Engineering, DTU Chemical Engineering.

You will be involved in the development, parameterization and validation of new coarse-grained molecular models and the development and implementation of systematic molecular simulation methods for novel polymers, metal-organic frameworks (MOFs) and other advanced complex materials and composites that are promising for industrial sustainable technologies.

Molecular simulation output will be used for the training of machine learning models and prediction of properties for materials not synthesized in the lab, yet. In parallel, you will be part of a project that brings together experimental and computational research groups from DTU Chemical Engineering and DTU Energy1 …