PhD scholarship in theoretical chemistry, “Towards quantum-enhanced computational algorithms for discovering sustainable energy materials” - DTU Chemistry

The project focuses on the development of next-generation quantum-enhanced algorithms for predicting the electronic excited-state properties of organic molecules. By integrating quantum chemistry, quantum computing, and computational materials design, the project aims to enable the efficient screening and discovery of sustainable materials for solar energy conversion and other clean-energy technologies.

The PhD project is a collaborative effort between Sonia Coriani (DTU Chemistry, principal supervisor), Piotr de Silva (DTU Energy Conversion and Storage, co-supervisor), and Achintya Kumar Dutta (IIT Bombay, co-supervisor), and is cofinanced through a DTU Alliance PhD fellowship and the Novo Nordisk Foundation-funded Hybrid Quantum Chemistry on Hybrid Quantum Computers (HQC)² project.

As part of the Alliance partnership, the PhD student is expected to spend two research stays of approximately three months each (or one stay of 6 months) at the Indian Institute of Technology Bombay, working under the supervision of Achintya Kumar Dutta and collaborating closely with a PhD student based at IIT Bombay.

The project will also involve close interaction with the research teams associated with the (HQC)² project, providing access to a broad international network and expertise at the interface of quantum chemistry and quantum computing1 …