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the performance and scalability of large-scale molecular dynamics simulations (e.g. LAMMPS) using machine-learned potentials (e.g. MACE) through algorithmic improvements, code parallelization, performance analysis
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thereafter. The project Currently, plant ingredients are often refined to almost molecular purity - and then combined again to create structured foods. This isolation is resource intensive, and the removal
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Prize in Chemistry, was made here. At Umeå University, everything is close. Our cohesive campuses make it easy to meet, work together and exchange knowledge, which promotes a dynamic and open culture
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at the APS, integrating x-ray optics and wave propagation models with realistic sample simulations based on dislocation dynamics and molecular dynamics of relevant materials. Significant attention needs
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-Integrated 3D Skin Models”, led by Prof. Jonathan Brewer (Department of Biochemistry and Molecular Biology, SDU), Dr. Mike Barnkob and Prof. Torben Barington (Department of Clinical Immunology, Odense
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photo-bases. The work will focus on modeling of adiabatic and nonadiabatic photochemical processes to capture excited states dynamics using an array of ab initio molecular dynamics methods for excited
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of tomorrow and creating novel solutions to major global challenges. Our community is made up of 13 000 students, 400 professors, and more than 4 500 other faculty and staff working on our dynamic campus in
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dynamical systems theory, including differential equations, simulation techniques, state-space and input-output representations, time-delay embedding, and/or time series analysis from experimental data
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(ab initio calculations, Molecular dynamics, Computational modeling) and materials science. - Excellent skills and understanding in physical-chemistry of materials. - Excellent verbal and written
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) molecular dynamics simulations; and 3) high-performance computing environments. Prior programming experience is preferred but not required. The postdoctoral scientist will design, perform, and develop new