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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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should be able to work both independently and as part of a research team. Key responsibilities will include: 1. employing ab-initio electronic structure theory to determine the inter-atomic exchange
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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 of Physics, City
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”. In: J. Chem. Phys. 158.3 (2023). [5] : Kästner, J. “Umbrella sampling”. Comp. Mol. Sc., (2011), 1(6), p. 932-942. Techniques/methods in use: Molecular dynamics, Ab-Initio Molecular Dynamics
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science, or quantum chemistry, with a strong foundation in quantum physics and solid experience in ab initio DFT methods and/or spin dynamics simulations, complemented by strong programming skills. Your
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materials and molecules with correlated electrons by refining new ab initio Green’s function methodologies that overcome the limitations of existing computational tools. By leveraging the latest advances in
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at Theoretical Physics , IFM, within the Ab Initio Methods and Energy Materials unit. The employment This employment is a temporary contract of two years with the possibility of extension up to a total maximum of
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(or similar finite-temperature frameworks) is considered a strong merit. The workplace You will work at Theoretical Physics , IFM, within the Ab Initio Methods and Energy Materials unit. The employment
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Offer Description The goal of the Opus 27 project “Ab-initio Green’s Function Methods for Describing Magnetic Compounds with Strong Spin-Orbit Coupling” (Principal Investigator: Dominika Zgid), funded by
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techniques such as tensor networks, quantum Monte Carlo, ab initio calculations, and AI/ML is a plus. Minimum Education and Experience Ph.D in a related field. Preferred Education and Experience Other