PhD in Quantum-Enhanced Algorithms for Sustainable Energy

DTU - Technical University of Denmark; Kongens Lyngby; On-site; DKK 360,000 - 400,000; Full time

Job summary

DTU Chemistry in Denmark invites applications for a PhD position focusing on quantum-enhanced algorithms to predict excited-state properties of organic molecules. The project combines quantum chemistry, quantum computing, and materials design, with collaboration across DTU and IIT Bombay under the HQC² initiative.

The PhD student will spend two research stays of about three months each at IIT Bombay, work with international teams, and contribute to publications and dissemination at conferences.

Qualifications

• Two-year master's degree or equivalent in chemistry, physics, math, CS, or quantum information science.
• Strong background in quantum chemistry, computational methods and programming.
• Fluent in English; ability to work independently and in an international team.

Responsibilities

• Design computational methods for predicting excited-state properties, including NISQ and early fault-tolerant quantum computers.
• Generate high-quality benchmark datasets.
• Implement computational software and workflows.
• Use developed algorithms to screen candidate organic molecules and aid design of sustainable energy materials.
• Disseminate results in scientific articles and at conferences.
• Participate in group meetings and activities.
• Teaching-related activities at DTU Chemistry, including supervision of BSc/MSc projects.

Skills

Quantum chemistry

Mathematical background

Fortran

C/C++

Python

Qiskit

Pennylane

Programming concepts

Education

Two-year Master's degree (120 ECTS) in Chemistry/Physics/Math/CS/Quantum Information Science

Tools

Qiskit

Pennylane

Job description

DTU Chemistry in Denmark invites applications for a PhD position focusing on quantum-enhanced algorithms to predict excited-state properties of organic molecules. The project combines quantum chemistry, quantum computing, and materials design, with collaboration across DTU and IIT Bombay under the HQC² initiative.

The PhD student will spend two research stays of about three months each at IIT Bombay, work with international teams, and contribute to publications and dissemination at conferences.