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quantum mechanical effects are typically too expensive for simulations of disordered systems like liquids. This PhD will develop and deploy the tools needed high-fidelity simulations: machine learned
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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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wide range of scientific skills, with each supervisor covering a specific area of expertise (DFT and Thermodynamics, Kinetics, Molecular Dynamics and ML potentials). The candiadte will contribute to a
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Researcher Profile First Stage Researcher (R1) Positions PhD Positions Country Italy Application Deadline 20 Nov 2025 - 23:59 (Europe/Rome) Type of Contract Temporary Job Status Full-time Hours Per Week 40
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forward to receiving your application! We are looking for a PhD student in theoretical physics with a focus on AI-assisted workflows and database development for materials property prediction. Your work
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Experimental Sciences or equivalent training programs; - PhD Degree in Chemistry; - Training in DFT and CASSCF computational methods and molecular dynamics studies; - Experience in physicochemical and structural
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of IsoPROPEL is to develop fuel cells that utilize the isopropanol/acetone couple for boats navigating European waterways (canals and rivers). The recruited candidate will be affiliated as a PhD student at ENS
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Profile Recognised Researcher (R2) Positions PhD Positions Country Romania Application Deadline 22 Oct 2025 - 16:30 (Europe/Bucharest) Type of Contract Temporary Job Status Part-time Hours Per Week 20 Is
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EU programme Is the Job related to staff position within a Research Infrastructure? No Offer Description PhD Position in Ultrafast Condensed Matter Physics The Ultrafast Spectroscopy and Attosecond
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link structure-property relationships from DFT, MD, phase-field, TEM/SEM, and other multimodal datasets from simulation and experiment Develop benchmarking protocols and toolkits to evaluate AI models