Postgraduate research project

Algorithm development for molecular simulations on quantum computers

Funding
Competition funded View fees and funding
Type of degree
Doctor of Philosophy
Entry requirements
2:1 honours degree View full entry requirements
Faculty graduate school
Faculty of Engineering and Physical Sciences
Closing date

About the project

Dive into the fascinating world of quantum computing by developing new algorithms for molecular simulations and running your algorithms on actual quantum hardware.  Your interest and background shapes the project with a focus on quantum chemistry inspired method development, algorithms enabling ultrafast dynamics, or error mitigation schemes. 

Quantum computing is poised to be the next big emerging technology with the potential to fundamentally change our capabilities to model materials and thus impact discoveries in chemistry, physics, and biology. The necessity to completely re-think our algorithm design and adapt to new architecture operating around superposition and entanglement makes it a high-impact, interdisciplinary, and exciting field of study. Material simulation on quantum computers is not just a hot academic topic but is also addressed by start-ups, traditional industry, and policymakers, with a growing demand for talent from academia.

This project aims to develop quantum algorithms enabling molecular simulations on quantum computers. You will derive new methods, develop classic and quantum computing code together with senior researchers and your principal investigator (PI), simulate experiments and finally run your newly developed algorithms on actual quantum hardware. Depending on your background and interests, various project pathways can be explored, including:

  • electronic structure theory
  • quantum or semi-classical dynamics
  • (early) fault-tolerant algorithms based on time evolution
  • chemistry-focused error mitigation schemes

An optional stay in Denmark is possible via collaboration with the Danish quantum project HQC2.