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of materials under pressure, with a view to identifying and formalizing rules and concepts; - Applying the DFT/MLIP “Crystal Structure Prediction CSP” methodology to various issues addressed by the research
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, electronic properties, and spectroscopic response. A major component of the project will focus on coupling DFT calculations with machine learning models to accelerate spectral prediction, identify robust
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quantum networks, where one bit of information is encoded in the quantum state of a single photon. You will be part of a team of 10-12 people between senior staff, PostDocs and PhD/Master students
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computational condensed matter physics. We seek a motivated researcher with expertise in density functional theory (DFT) to study emergent phenomena in quantum materials. Research Areas - Correlated electronic
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criteria The candidate should hold a PhD in computational chemistry, materials science, or a closely related field, with strong experience in DFT calculations (preferably periodic systems) and familiarity
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UnitedKingdomTime) Position Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department
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of chemically storing and releasing hydrogen, using methanol as a reservoir. Main activities: • Utilize global optimization codes and perform DFT calculations on supercomputers. • Analyze results and
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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, experimental data bases and materials data bases together with novel AI tools. Where to apply Website https://auspire.eu/research-team/icn2-pf1-call-2/ Requirements Research FieldChemistryEducation LevelPhD
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diffractometer, a GC for common gas analysis, a GC/MS, and an HPLC/MS. DFT calculations will be performed using annual allocations on national high-performance computing centers. More details here: https