PhD Student in Computational Molecular Design

Job summary

This position involves a PhD opportunity focused on computational molecular design within the field of chemical engineering, specifically at the Center of Energy Resources Engineering. The role emphasizes the development and validation of molecular models and simulation methods for advanced materials aimed at sustainable technologies.

Qualifications

• A two-year master's degree (120 ECTS points) or equivalent.
• Strong knowledge in Chemical Engineering, Materials Science, or a related discipline.
• Proven research experience in molecular thermodynamics, molecular simulation, and/or physics-inspired machine learning.
• Strong programming skills.
• Good written and oral communication skills in English.

Responsibilities

• Develop and validate new molecular models at atomistic or coarse-grained levels.
• Implement and enhance simulation methodologies for improved efficiency and accuracy.
• Utilize computational methods to analyze properties of advanced materials.
• Publish research findings in peer-reviewed journals and present at international conferences.
• Complete PhD courses and engage in teaching assistant duties.
• Supervise BSc and MSc student projects.

Skills

• Proficiency in molecular simulation platforms such as GROMACS, LAMMPS, or RASPA.
• Ability to work independently and collaboratively on research projects.

Education

• A master's degree in a relevant field is required.

Tools

• Familiarity with molecular simulation software and programming languages relevant to computational modeling.