PhD Scholarship: Quantum Chemistry for Sustainable Energy

DTU Kemi (KI); Kongens Lyngby; On-site; DKK 360,000 - 480,000; Full time

Job summary

DTU Chemistry invites applications for a PhD scholarship titled “Towards quantum-enhanced computational algorithms for discovering sustainable energy materials.” The project integrates quantum chemistry, quantum computing, and materials design to advance screening of sustainable energy materials.

The candidate will spend time at IIT Bombay and will collaborate with HQC²; the position is 3 years full-time, with start in 2027. Enquiries to Professor Sonia Coriani.

Qualifications

• Two-year Master’s degree (120 ECTS) or equivalent in Chemistry, Physics, Mathematics, CS or Quantum Information Science.
• Strong background in quantum chemistry and computational methods.
• Programming experience in Fortran, C/C++, or Python.
• Experience with quantum computing libraries such as Qiskit or Pennylane.
• Excellent written and spoken English; able to work independently and in teams.

Responsibilities

• Design computational methods for predicting excited‑state properties and NOISQ/ET2 quantum computers.
• Generate high‑quality benchmark datasets.
• Implement computational software and workflows.
• Use developed algorithms to screen candidate molecules and support design of sustainable energy materials.
• Disseminate results in scientific articles and at conferences.
• Participate in group meetings and activities; teach supervision of BSc/MSc projects.

Skills

Quantum chemistry

Fortran/C/C++/Python

Mathematics

Quantum computing

Qiskit/Pennylane

Education

Two-year Master’s degree in Chemistry/Physics/Math/CS/Quantum Information Science

Tools

Qiskit

Pennylane

Job description

DTU Chemistry invites applications for a PhD scholarship titled “Towards quantum-enhanced computational algorithms for discovering sustainable energy materials.” The project integrates quantum chemistry, quantum computing, and materials design to advance screening of sustainable energy materials.

The candidate will spend time at IIT Bombay and will collaborate with HQC²; the position is 3 years full-time, with start in 2027. Enquiries to Professor Sonia Coriani.