PhD Candidate in Computational Chemistry

Job summary

A 3-year PhD scholarship is available focusing on the computational design of unconventional photoactive molecules. The project aims to utilize advanced quantum chemical methods and computational workflows to create molecules with unique photophysical properties applicable in OLEDs, photovoltaics, bioimaging, and photodynamic therapies.

Qualifications

• A master’s degree in theoretical physics, theoretical chemistry, or a related field.
• Experience in computational chemistry, especially in modeling excited state properties.
• Strong theoretical quantum chemistry background.
• Proficiency in Python programming.
• Familiarity with HPC platforms.

Responsibilities

• Develop computational workflows for designing novel molecular structures based on desired photophysical properties.
• Utilize quantum chemistry software for property prediction and employ high throughput screening, machine learning, and evolutionary algorithms for chemical space exploration.

Education

• A two-year master's degree (120 ECTS points) or an equivalent academic qualification is required.

Tools

• Quantum chemistry software, Python programming, HPC platforms.