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strong interest in atomistic modeling of surface reactions. Excellent communication skills in written and spoken English. Preferred qualifications: Experience with atomic-scale modeling. Expertise in
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Environment Research Council (NERC). It brings together 10 leading UK universities and over 30 industrial stakeholders. Cardiff University researchers will contribute expertise in atomistic and computational
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-free double perovskites Your Profile: Master`s degree in theoretical or computational physics, chemistry, materials science or similar fields Familiarity with atomistic simulations, high-performance
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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broad experience in the development of electronic structure methods and their application in order to perform atomistic simulations of molecules and materials. These include (but are not restricted
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distribution function and XAFS techniques. Ability to test and refine atomistic structure models against experimental x-ray scattering data. Ability to perform the essential functions of the job with or without
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are key to solving sustainability challenges. With the ultimate goal of facilitating a robust bioeconomy, the Vermaas lab leverages computational methods such as atomistic or coarse-grained molecular
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Dynamic Atomistic Predictions of Crystalline, Crystal Defect and Liquid Metal Properties NIST only participates in the February and August reviews. Classical interatomic potentials provide a means
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approach must be combined with mechanistic models that describe the specific microstructure elements. A variety of inputs from both experimental work and simulations (i.e., first principle, atomistic, and/or
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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