Quantum
Electrons, atoms and molecules for catalysis, medicines and devices
Available Projects for Autumn 2022 entry
For further guidance on how to apply, student funding and the HetSys training programme, please visit the Study with Us page.
Project Title |
Description |
Keywords |
Optimising power grids and chemical reactions with graph neural networksLink opens in a new window |
THIS PROJECT IS NOW FILLED |
Physics, Chemistry, Engineering, Molecules, Machine Learning, Neural Networks |
Biosensing with molecular nanoribbonsLink opens in a new window |
DNA sequencing (sensing the order of bases in a DNA strand) is an essential step toward personalized medicine for improving human health. Despite recent developments, conventional DNA sequencing methods are still expensive and time consuming. This project aims to exploit theoretically an alternative strategy for quantum sensing of biological species such as DNA using changes in the electrical properties of a membrane (e.g. molecular nanoribbons containing a pore) upon translocation of biospecies. It will also establish design principles to use molecular nanoribbons for a new generation of quantum devices for selective sensing of biospecies. |
Quantum, Devices, Transport, Engineering, Physics, Chemistry, Atomistic |
Harnessing Molecular Simulations to advance Electronics and Photovoltaics: design rules for the selective deposition of metals by novel condensation techniquesLink opens in a new window |
THIS PROJECT IS NOW FILLED |
Atomistic, quantum, chemistry, molecules, electronics, photovoltaics |
Applying Machine Learning to understand photoprotection: how do triazine-based UV-filters really work?Link opens in a new window |
THIS PROJECT IS NOW FILLED |
Quantum, Atomistic, Chemistry, Molecules, Machine Learning |
Reliable quantum algorithms for plasma and fusion physicsLink opens in a new window |
The field of quantum computation and simulations seeks to develop efficient quantum algorithms for problems that are classically inefficient to solve and are therefore computationally expensive. Furthermore, a quantum-enhanced simulation must not only perform a hard classical simulation efficiently, but also correctly. The latter goal is particularly important as real-world quantum computers are noisy and error prone. This project will develop efficient quantum simulations for problems in plasma and fusion physics, and establish their reliability in real-world quantum computers. The project is ideal for a student interested in a close interplay of quantum computation and simulation with plasma physics. |
Quantum, Plasma, Physics, Mathematics, Continuum |
Supervisors: |
Industrial catalysis must become sustainable within our lifetime. This means creating renewable fuels and fertilizer to ensure food safety from clean energy such as sunlight and sustainable feedstocks such as atmospheric CO2 and N2. To achieve this, we need to be able to understand the mechanisms behind photocatalytic processes and how light excitation can selectively break chemical bonds. This is currently limited by the sheer computational cost of quantum mechanical simulation of light-driven chemistry. The aim of this project will be to create and apply machine learning models that emulate the quantum mechanical interaction between light and molecules at surfaces. |
Catalysis, Quantum, Chemistry, Materials, Molecules, Physics, Machine Learning |
Supervisors: |
THIS PROJECT IS NOW FILLED |
Physics, Life Sciences, Machine Learning, Imaging |
Memory matters : Beyond Markovian models of rare event kineticsLink opens in a new window Supervisors: |
THIS PROJECT IS NOW FILLED |
Molecules, Atomistic, Rare Events, Physics, Chemistry |