Summary
The Technical University of Denmark (DTU) is offering a PhD scholarship focused on the development of next-generation quantum-enhanced algorithms for discovering sustainable energy materials. This project integrates quantum chemistry, quantum computing, and computational materials design to enable the efficient screening of organic molecules for solar energy conversion and clean-energy technologies.
Designation
PhD Fellow in Theoretical Chemistry
| Detail | Information |
|---|---|
| Institution | Technical University of Denmark (DTU) |
| Department | DTU Chemistry |
| Research Group | Sonia Coriani Group |
| Duration | 3 Years (Full-time) |
| Start Date | January 1, 2027 |
| Location | Kongens Lyngby, Denmark (with stays in India) |
Research Area
The research focuses on Theoretical Chemistry and Quantum Computing, specifically developing algorithms for Noisy Intermediate-Scale Quantum (NISQ) and early fault-tolerant quantum computers to predict electronic excited-state properties of organic molecules.
Location
The primary workplace is the Department of Chemistry at DTU, Denmark. As part of the Alliance partnership, the student will also complete research stays of approximately 6 months at the Indian Institute of Technology (IIT) Bombay, India.
Scholarship Description
This PhD project is a collaborative effort between DTU Chemistry, DTU Energy, and IIT Bombay. It is co-financed through a DTU Alliance PhD fellowship and the Novo Nordisk Foundation-funded Hybrid Quantum Chemistry on Hybrid Quantum Computers (HQC)² project. Key responsibilities include:
- Designing computational methods for predicting excited-state properties.
- Generating high-quality benchmark datasets.
- Implementing software and workflows in programming languages like Python, C++, or Fortran.
- Using algorithms to screen candidate organic molecules for sustainable energy.
- Disseminating research results in scientific articles and at international conferences.
- Participating in teaching-related activities and student supervision.
Eligibility/Qualification
Applicants must have a two-year master’s degree (120 ECTS) or an equivalent degree in Chemistry (focus on theoretical/computational chemistry), Physics, Mathematics, Computer Science, or Quantum Information Science. Additional qualifications include:
- Solid mathematical background and experience in quantum chemistry.
- Programming skills in Fortran, C/C++, and/or Python.
- Experience with correlated wavefunction methods (e.g., Coupled Cluster).
- Familiarity with quantum computing libraries like Qiskit or Pennylane.
- Fluency in written and spoken English.
- Motivation to work independently and collaborate in a diverse international environment.
How to Apply
Applications must be submitted online as one single PDF file containing the following materials in English:
- A motivation letter (cover letter).
- Curriculum vitae (CV).
- Grade transcripts and BSc/MSc diplomas, including an official description of the grading scale.
- A list of publications (if any), including bachelor and master theses.
- Contact information for up to three scientific references.
Candidates may apply before obtaining their master’s degree but must have received it before starting the position.
Last Date for Apply
The complete online application must be submitted no later than 6 November 2026 (23:59 Danish time).
