PhD Position: Computational Electrochemistry of CO2 Conversion 1516 views

The Faculty of Science, Van ‘t Hoff Institute for Molecular Sciences at University of Amsterdam (UvA) is seeking a PhD candidate interested to unravel this electrochemical conversion process using advanced quantum mechanical (DFT) based simulations methods, incorporating the thermal and solvent effects by molecular dynamics techniques.

About the project:

• The selected candidate will perform DFT-MD simulation of key steps in the conversion reaction of CO2 to methanol, in bulk solvent and at the surface/solvent interface. Predict free energy landscapes for these reactions.
• Investigate the conversion steps under electrification of surface by implementing and performing path-based simulation for important conversion reactions
• Candidate is expected to: perform research in the computational chemistry theme of the HIMS; be and active member of the computational chemistry theme; take part actively in the overarching CBBC CO2 conversion program; contribute to the teaching of BSc/MSc students.

Requirements:

• Applicant must hold recent M.Sc degree in science, preferably Chemistry, Chemical Engineering, Physics, Computational Science or related field.
• A strong background in chemistry, physics or computational science.
• Affinity and/or experience with molecular simulations and/or DFT calculation.
• Good programming skills are preferred.
• Good communication skills in oral and written English.
• Strong initiative and good time management skills.

Applications:

Apply online and applications in .pdf should include:

• a motivation letter;
• a CV, including a copy of master thesis, and if applicable a list of publications;
• the names of two references.