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Dynamic Atomistic Predictions of Crystalline, Crystal Defect and Liquid Metal Properties NIST only participates in the February and August reviews. Classical interatomic potentials provide a means
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | about 15 hours ago
# Development of high-accuracy atomistic models using efficient electronic structure methods, particularly for large-scale systems # Deepening the understanding of strongly correlated electron systems and real
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 7 days ago
of spin–lattice models tailored to specific classes of magnetic materials, - validation of the developed models using representative systems through atomistic simulations and spin‑dynamics calculations
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mechanisms governing their catalytic activity remain poorly understood. Their structural heterogeneity and chemical complexity make accurate atomistic modeling particularly challenging.[1] Recent advances in
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workflow that maps first-principles electronic-structure data onto predictive atomistic spin-Hamiltonians and device-scale dynamical models. The candidate will run high-throughput, relativistic DFT
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 7 days ago
dynamics using such atomistic simulators as VAMPIRE, UppsASD, LAMMPS with SPIN package, mumax3 or similar (ab initio methods would be a strong advantage). We offer: · work in a promising organization
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Basse Normandie. PHD title: Doctorat de Physique PHD Country: France Where to apply Website https://www.abg.asso.fr/fr/candidatOffres/show/id_offre/137565 Requirements Specific Requirements Applicant
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& Responsibilities Perform large-scale electronic structure and atomistic simulations (DFT, AIMD, NEB) to study ion mobility in aluminosilicate and oxide frameworks. Generate datasets linking structure, environment
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discipline Apply: https://mgician.eu/research/doctoral-candidate-projects/dc3/ DC4: Atomistic Modelling and Design of Thermoelectric Materials and Interfaces Host: King’s College London (KCL), London
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 9 days ago
dynamics using such atomistic simulators as VAMPIRE, UppsASD, LAMMPS with SPIN package, mumax3 or similar (ab initio methods would be a strong advantage). We offer: · work in a promising organization