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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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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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implement a software engine that automates fault model generation, evaluation, and management. Design and implement advanced test generation methodologies (e.g., test algorithms, Design-for-Test (DfT), Memory
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. Advisers name email phone Carelyn E. Campbell carelyn.campbell@nist.gov 301.975.4920 Description First principles electronic structure methods such as density functional theory (DFT) are crucial
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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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electrocatalysts. Main Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic
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The candidate will be involved in academic research under supervision of Prof. Dr. Roberto Iglesias. - Multiscale modelling using DFT and IA techniques. - Multiscale modelling using Molecular Dinamics and IA
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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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synthesis. SERS detection. DFT calculation. Where to apply Website https://sede.uvigo.gal/public/catalog-detail/27660208 Requirements Research FieldChemistry » Physical chemistryEducation LevelPhD
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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