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  Quantum Monte Carlo Simulation of Charge Carriers in Two-Dimensional Semiconductors


   Physics Department

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  Dr N Drummond  No more applications being accepted  Competition Funded PhD Project (UK Students Only)

About the Project

Applications are invited for a fully-funded PhD research studentship held in the Condensed Matter Theory group of the Department of Physics at Lancaster University. The successful applicant will use the CASINO quantum Monte Carlo software to model interacting charge carriers in two-dimensional semiconductors such as transition metal dichalcogenides. These materials are important candidates for novel optoelectronic devices, and excitonic charge-carrier complexes play a key role in the interaction of these materials with light. The project will build on earlier work on isolated charge-carrier complexes in monolayers and bilayers of these materials by examining multilayer systems and finite concentrations of charge carriers.

The project is computational in nature, and strong scientific programming skills are required (e.g., as evidenced by a significant undergraduate or Masters scientific programming project). It is hoped that the successful applicant will play an active role in maintaining and developing the CASINO code, including adapting it to exploit accelerators such as GPUs.

The Lancaster Physics Department holds an Athena SWAN silver award and JUNO Champion status, and is strongly committed to fostering inclusion and diversity within its community

The funding for this project is available through the Graphene NOWNANO Centre for Doctoral Training (www.graphene-nownano.manchester.ac.uk), which is run jointly by the Universities of Lancaster and Manchester. During the first six months of the studentship, the student will attend various short modules on nanoscience topics.

Please contact: Dr Neil Drummond ([Email Address Removed]) for further information, or apply directly at http://www.lancaster.ac.uk/physics/study/phd/


Funding Notes

The studentship is open to students from the UK. The duration of the studentship is 3.5 years, starting on 1st September 2021. Funding will be awarded on a competitive basis. Applicants must have a good honours degree (at least a 2:1 or equivalent) in physics or a related subject.

References

Some relevant publications on quantum Monte Carlo studies of transition-metal dichalcogenides:
* M. Danovich et al., "Localized interlayer complexes in heterobilayer transition metal dichalcogenides", Phys. Rev. B 97, 195452 (2018).
* E. Mostaani et al., "Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides", Phys. Rev. B 96, 075431 (2017).
* M. Szyniszewski et al., "Binding energies of trions and biexcitons in two-dimensional semiconductors from diffusion quantum Monte Carlo calculations", Phys. Rev. B 95, 081301(R) (2017).
Recent review article on the quantum Monte Carlo methods implemented in the CASINO software:
* R. J. Needs et al., "Variational and diffusion quantum Monte Carlo calculations with the CASINO code", J. Chem. Phys. 152, 154106 (2020).
* See also the CASINO website: https://vallico.net/casinoqmc/