PhD Scholarship: Unconventional Photoactive Molecules

DTU Energy - Bygning 301; Kongens Lyngby; On-site; DKK 335,000 - 391,000; Full time

Job summary

DTU Energy invites applications for a 3-year PhD scholarship focused on the computational discovery of unconventional photoactive molecules. The project will combine state-of-the-art quantum chemical methods and advanced computational workflows with the aim of designing molecules that display unconventional photophysical behavior such as singlet-triplet gap degeneracy and inversion.

Molecular design will focus on candidate molecules for which these unconventional properties can be translated

Qualifications

• Master’s degree in theoretical physics, theoretical chemistry, or related fields.
• Experience with computational chemistry, particularly modeling excited state properties.
• Strong background in theoretical quantum chemistry.
• Working knowledge of the Python programming language.
• Experience using HPC platforms.

Responsibilities

• Develop computational workflows able to design novel molecular structures based on required photophysical properties.
• Utilize quantum chemistry-based predictive software and high throughput screening, machine learning, and evolutionary algorithms to explore chemical space.

Skills

Theoretical physics

Theoretical chemistry

Computational chemistry

Python

HPC platforms

Education

Master's degree (2-year) in theoretical physics, chemistry, or related fields

Tools

Python

HPC platforms

Job description

DTU Energy invites applications for a 3-year PhD scholarship focused on the computational discovery of unconventional photoactive molecules. The project will combine state-of-the-art quantum chemical methods and advanced computational workflows with the aim of designing molecules that display unconventional photophysical behavior such as singlet-triplet gap degeneracy and inversion.

Molecular design will focus on candidate molecules for which these unconventional properties can be translated