Postdoctoral Researcher in Computational Molecular Design (Research, Remote)

Job summary

This position focuses on advancing the molecular design of mixed matrix membranes through computational methods, including multi-scale molecular simulation and machine learning techniques. The role is part of a project aimed at developing innovative materials for sustainable technologies, particularly in CO2 capture and energy storage.

Qualifications

• PhD degree in Chemical Engineering, Materials Science, or a related field.
• Proficiency in molecular simulation of complex chemical systems using atomistic and/or coarse-grained models.
• Experience in designing, developing, and implementing algorithms and molecular simulation codes across various platforms.
• Strong track record of scientific dissemination through peer-reviewed publications and conference presentations.
• Familiarity with machine learning methods for material discovery is advantageous.

Responsibilities

• Design, develop, parameterize, and implement new force fields for polymers and metal-organic frameworks (MOFs).
• Collaborate with researchers to perform computational chemistry calculations.
• Calculate molecular structures and physical properties of mixed matrix membranes.
• Develop physics-informed machine learning models to identify key molecular design parameters for optimal material design.

Skills

• Strong analytical and problem-solving skills in computational chemistry.
• Ability to work collaboratively in a research environment.
• Excellent communication skills for scientific dissemination.

Education

• A PhD degree (or equivalent) in a relevant field is required.

Tools

• Experience with molecular simulation software and machine learning frameworks is preferred.