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NIST only participates in the February and August reviews. There is a growing need for high-performance materials for various technological applications. To address this need, the NIST-JARVIS (https
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) The overall following data and analyses of the different physical effects (orbital vs. Spin contribution) will be accompanied by the development of advanced theory/model/numerical simulations and possibly DFT
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IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava | Czech | 24 days ago
No. 24-11388I - Magneto-elasticity of non-cubic materials in spin-lattice dynamic simulations. Activity description: · conduct scientific investigations in two primary research directions: - development
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the mechanisms of sorption and diffusion; (iv) to establish relationships between molecular structure and adsorption properties; and finally (v) to combine experiments and simulations to predict the performance
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, diffraction des rayons X ou spectroscopie Raman serait un atout) - Un intérêt pour les méthodes de simulation atomistique (DFT, dynamique moléculaire ou approches apparentées) - Des compétences en traitement et
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EDA & semiconductor test tools. MSc/PhD, C++, & EDA/DFT experts: join our startup & have an immediate impact! Job description The POPCORN project aims to revolutionize semiconductor testing by
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NIST only participates in the February and August reviews. First principles calculations, usually based on density functional theory (DFT), are a crucial aspect of modern materials physics research
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simulation techniques, including density functional theory (DFT), molecular dynamics, Monte Carlo methods, and free‑energy perturbation calculations. Develop and implement novel computational methodologies and
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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
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic