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particular classical and/or quantum atomistic simulations, continuum simulations) of optical (linear and/or nonlinear) and plasmonic properties in solid-state systems, with particular reference to doped
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modifications induced by different types of laser in AZO layers, but also with a postdoc in charge of atomistic simulations. Where to apply Website https://emploi.cnrs.fr/Offres/Doctorant/UMR125-MATBAL-003
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at the University of Rouen Normandie is seeking a motivated PhD candidate for the CRONOSS project, which aims to revolutionize crystallization control by combining in silico simulations with experimental validation
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how nanoparticles prefer to attach to each other. The machine-learning models will be validated against detailed atomistic simulations and compared with experimental results on self-assembly. Ultimately
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on github . [1] L.M. Hale, Z.T. Trautt, and C.A. Becker (2018), "Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic
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prediction? You will join the project “From Toy to Cloud Modelling: Leveraging Molecular Simulations to Improve Atmospheric Models of Ice Nucleation” (NERC APP25329). The project is developing physically
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 28 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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remain poorly understood. Their structural heterogeneity and chemical complexity make accurate atomistic modeling particularly challenging. Recent advances in machine learning approaches provide a powerful
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materials, including porous dimension, building ingredients, wettability, etc., and their interactions with water and gas species include CO2, Hydrogen and methane. Using atomistic modeling, the study will
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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element