Quantum Monte Carlo Simulation of Charge Carriers in Two-Dimensional Semiconductors
Dr Neil Drummond (Department of Physics, Lancaster University, Lancaster, UK)
Funded PhD Research 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 funding for this project is available through the Graphene NOWNANO Centre for Doctoral Training (http://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.
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/
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.
Deadline for applications
Please apply via
on or before Friday 30th April 2021.
For informal inquiries, please email Neil Drummond ("n.drummond", followed by "@", followed by "lancaster.ac.uk").
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