positions
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+ | ======= Implementation of GPU-accelerated simulations for real time propagated excited states and applications to organometallic photochemistry [STU0480] ======= | ||
+ | Supervisors: | ||
+ | 4-year Fully Funded PhD Studentship developing real-time time-dependent density functional theory simulations of photoactive organometallic compounds. | ||
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+ | About Us | ||
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+ | Diamond Light Source is the UK’s national synchrotron science facility. By accelerating electrons to near light-speed, | ||
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+ | Summary: Applications are welcome for a four-year funded PhD studentship jointly held at the School of Mathematics and Physics, University of Lincoln and the Spectroscopy Group at Diamond Light Source starting October 2023. The Studentship will focus on developing GPU parallelised routines for Real-Time Propagated Time-Dependent Density Functional Theory with the Open Source CP2K software and their application to Pump and Probe spectroscopy data collected at the I18 Microfocus beamline. | ||
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+ | Background: Understanding, | ||
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+ | First-principles simulations can be focal in interpreting experimental spectroscopic data collected at Diamond Light Source. Real-Time Propagation Time-Dependent DFT has emerged as a powerful and viable means to investigate the time evolution of excited states subject to a time-dependent electromagnetic field. | ||
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+ | Project: The studentship targets the acceleration of the RTP-TDDFT routines within the CP2K code through GPU parallelisation. RTP-TDDFT will be deployed to provide insight into the fundamental dynamical excited state properties of organo-transition metal complexes of particular interest to the facilities’ user communities. In addition, it will implement an automated framework for RTP-TDDFT simulations of more generalised materials across different High-Performance Computing facilities available to Diamond Light Source scientists and users. | ||
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+ | Further Information | ||
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+ | Diamond Light Source Ltd holds an Athena SWAN Bronze Award, demonstrating their commitment to provide equal opportunities and to advance the representation of women in STEM/M subjects: science, technology, engineering, | ||
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+ | More Information on Diamond' | ||
+ | Diamond jointly funds around 15-20 studentships every year with a variety of collaborators from both academic institutions to industry partners. Students accepted onto these projects will be part of our yearly cohort intake and are supported by both their academic and Diamond supervisors, | ||
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+ | Diamond' | ||
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+ | Students are expected to spend 50% of their studentship at RAL which will allow easy collaboration and sharing of expertise between Diamond, ALC and STFC Scientific Computing, with most students relocating to the local area for this period. Support on suggested accomodation options are provided by Diamond. | ||
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+ | Benefits of Diamond' | ||
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+ | Worldclass facilities: Access to Diamond' | ||
+ | Enhanced stipend: Joint Diamond funded studentships attract an enhanced stipend rate for students of around £2,000 per annum above the UKRI minimum rate | ||
+ | Conference allowance: Studentships include funding provided by all partners to attend conferences | ||
+ | Travel/ | ||
+ | Student support: Diamond has a dedicated Student Engagement team to support students throughout their studentship. Students also have access to the Employee Assistance Programme (EAP) via Diamond as well as free corporate access to Headspace | ||
+ | Further Information | ||
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+ | If you have further questions please contact the Student Engagement team on diamond.students@diamond.ac.uk. | ||
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+ | Further guidance for students can be found here as well as more information about life at Diamond found here. | ||
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+ | Application Procedure | ||
+ | We seek a highly motivated student interested in research software development and materials science to join our team. Interested applicants are asked to provide an up-to-date CV and a 1-2 page cover letter outlining their scientific background, expertise and research interests and the names ad contact details of two references to Joshua.elliott@diamond.ac.uk and MWatkins@lincoln.ac.uk. Informal enquiries are also encouraged. | ||
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======= Senior Computational Scientists – Accelerator Development and Multiscale Workflows, STFC, UK status: closed ======= | ======= Senior Computational Scientists – Accelerator Development and Multiscale Workflows, STFC, UK status: closed ======= | ||
positions.txt · Last modified: 2023/10/10 16:37 by tkuehne