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Exploiting extrapolative regimes of machine-lear ... (No replies)
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Abstract:
2D materials have given rise to a fruitful search for emergent quantum properties of matter, based on intercalation of different 2D sheets and magicangle alignments between sheets. The calculation of such properties in complex heterostructures or small-angle twisted-bilayers is hampered by the
cost of simulation, related to the large size of such structures. In this project, we will apply and develop machine-learning techniques that are capable of learning the electronic structure [1]. The goal is the prediction of largestructure properties (band structures, optical spectra, etc.) at minimal
computational cost but retaining ab initio quality and predictive power.
Ultimately, the PhD candidate would build a database of structure-property relationships of these 2D materials and exploit in depth special regimes of twisted bilayer systems.
Candidates with a background in physics or chemistry, with good math and programing skills are sought. We encourage the application of female candidates.
[1] A. Lewis, A. Grisafi, M. Ceriotti, M. Rossi, J. Chem. Theory Comput. 17,
7203–7214 (2021).
Contact person for scientific questions about the project:
[email protected]
[email protected]
We offer
Requirements
We seek applicants with an excellent academic background. You hold (or are about to complete) an MSc degree or equivalent in physics, chemistry or related areas. You need to be passionate about research in ultrafast phenomena and motivated to conduct rigorous scientific work over the full degree period.
Apply
The application deadline is 15th November 2022. PhD projects start in summer/autumn 2023. In exceptional cases, it may be possible to start on the research project earlier. For any further questions or problems regarding the application process or the online system, please contact the IMPRS UFAST coordinator on IMPRS[email protected].
Applications must be submitted via the > online application portal.
The International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS UFAST) is a joint venture of the Max Planck Institute for the Structure and Dynamics of Matter, Deutsches Elektronen-Synchrotron DESY, University of Hamburg and European XFEL GmbH.