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. Transcripts If already awarded, a copy of your Ph.D. diploma. Candidates can be currently enrolled to apply, but must have proof of degree conferral by the position start date in December, 2025. After
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Contribute to the preparation of scientific and technical reports. Develop and apply methodologies based on Density Functional Theory (DFT) to complex systems. Support simulation tasks and results analysis
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. Integration & automation: connect the optimiser to existing simulation pipelines (DFT → TB/Wannier → transport), ensure provenance and reproducibility, and scale runs on Linux/HPC. Benchmarking & ablations: set
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: The successful candidate will be expected to: Carry out high-quality research under the supervision of our experienced faculty members. Participate in the development of theories, and perform numerical simulations
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-Vis. • Strong communication skills Preferred Qualifications • Experience with DFT and ab initio simulations. • Experience with high-pressure and synchrotron techniques. Required License/Registration
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? Information We are seeking a motivated postdoctoral researcher to develop computational frameworks that integrate quantum-mechanical simulations (DFT, many-body methods) with modern machine learning approaches
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theoretical modelling of our experimental results to support this work. This includes DFT modelling of absorber-molecule interfaces and calculations of absorption and Auger spectra. This work will be carried
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Scikit-learn, PyTorch, Openbabel, and RDKit packages. Experience with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing
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with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing environments. Good communication skills, including the ability
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/Project: We are building an optimisation-driven framework that (i) makes AI agents reliably operate advanced scientific software (e.g., DFT, Wannierisation, and quantum-transport codes) and (ii) uses