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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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quantum chemistry (DFT) and control engineering. PhD position in chemical reaction engineering (Kinetic modeling & thermal runaway) Supervisors: Sébastien Leveneur (sebastien.leveneur@ircelyon.univ-lyon1.fr
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. The first task will be to define a TD-DFT protocol for obtaining accurate gabs and glum values for nearly-isolated (i.e. solvated in apolar media) intrinsically chiral dyes. In a first phase, the PhD student
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between condensed matter physics, nonlinear optics or computational photonics. The candidate should: Hold a PhD in physics, chemistry, or a closely related field. Have experience with ab initio methods (DFT
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | about 11 hours ago
# Completed university studies (PhD) in the field of Physic, Chemistry or a related field # Advanced and in-depth knowledge of electronic structure theory # Strong and highly developed expertise in density
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Research Framework Programme? Horizon Europe - MSCA Is the Job related to staff position within a Research Infrastructure? No Offer Description MSCA “ORBIS” thesis project, for which a PhD student will be
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Positions PhD Positions Application Deadline 25 Apr 2026 - 12:00 (Africa/Abidjan) Country France Type of Contract Temporary Job Status Full-time Offer Starting Date 1 Oct 2026 Is the job funded through the EU
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mechanisms in porous liquids. Density Functional Theory (DFT) calculations will allow analysis of specific interactions between gas molecules and POSS cages. **Scientific Environment** The PhD will be carried
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of theory, which will greatly facilitate the subsequent benchmarks, especially at the TD-DFT level. Thanks to this, the PhD candidate will perform extensive electronic structure benchmarks considering a wide
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is looking for a PhD Student (f/m/d) - Electrochemical swing adsorption of carbon dioxide. Your tasks Performing quantum mechanical and ML-based simulations to determine CO2 adsorption energies