Postdoc in computational elucidation of CO2 valorisation - DTU Chemistry

Tasks

• Analyze solvent catalyst synergism
• Apply molecular dynamics simulations
• Develop advanced computational models
• Discover hybrid catalytic systems
• Disseminate research to peers and public
• Map reaction pathways with detailed solvent analysis
• Model polar solvent dynamics
• Optimize hybrid catalytic systems
• Perform DFT calculations
• Teach and supervise student projects
• Use wave function methods for reaction characterization

Perks/Benefits

• Academic freedom
• International work environment

Skills/Tech-stack

CCSD(T) | Catalysis | Computational Chemistry | Coupled-cluster | DFT | DLPNO-CCSD(T) | Density Functional Theory | Molecular Dynamics | Organic synthesis | Pathway Analysis | Polar Solvent Modeling | Reaction Pathway Analysis | Wave function methods