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based on salt melts. The methods are primarily molecular dynamics simulations and small DFT calculations, but the software COSMO-RS may also be used. The postdoctoral fellow will be part of Prof. Patrik
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physics scale with the component-level scale to simulate the thermomechanical response of the full first wall/blanket structures during fusion reactor operation. Villanova is a Catholic university sponsored
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the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate
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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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. 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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? 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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: 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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/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
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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