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adaptive integration methods designed to accelerate atomistic simulations. The approach to be developed will initially integrate spectroscopy data (XPS, SAX, SXRD) to generate candidate structures for S-S
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design rules to understand their chemistry and physics. You will combine coarse-grained and atomistic simulations with surrogate models and experimental insights (with Dr. Baumgartner) to understand
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the preponderance of surface and finite size effects. This project aims to dynamically track temperature-induced phase transitions at the nanoscale through atomistic simulations. Focusing on metallic alloys and
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 1 month ago
the School’s Strategic Plan (https://pharmacy.unc.edu/about/oe/strategic-plan/). Our Vision is to be the global leader in pharmacy and pharmaceutical sciences. Our Mission is to prepare leaders and innovators
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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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-driven Atomistic Simulation (DAS) group, led by Prof. Miguel Caro at the Department of Chemistry and Materials Science, Aalto University, are jointly hiring a Doctoral Researcher. In this position, you
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of Chemistry and Materials Science, Aalto University, and the Data-driven Atomistic Simulation (DAS) group, led by Prof. Miguel Caro at the Department of Chemistry and Materials Science, Aalto University
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. • Proven experience in molecular modelling and atomistic simulations of materials. • Proven expertise in designing, running and analysing molecular dynamics simulations. • Experience with electronic
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searching for a computational postdoctoral research associate. The project is associated with atomistic plasma-surface interaction simulations, employing machine learned interatomic potentials (MLIPs
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Do you want to use advanced simulation methods to understand and improve the performance of fuel cells? Join Chalmers and contribute to atomistic modelling of catalytic reactions to enhance