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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
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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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of molecular reactions occurring at the surface of various materials. In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried out to study the heat
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property prediction, modern artificial intelligence methods, molecular dynamics, and interdisciplinary research, this is your chance to be part of an exciting journey at the forefront of science and
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Hydrogen is expected to play a key role in the energy and fuel mix of future sustainable transport systems. However, due to its small and light molecular structure, hydrogen exhibits significantly
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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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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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. Develop and apply ab initio computations, molecular dynamics simulations, and machine learning models. Collaborate with other researchers within the group and external partners. Present research findings
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algorithms, error correction, or many-body quantum systems. o Proficiency in numerical simulations (e.g., tensor networks, quantum circuit modeling). · For Experimentalists: o PhD in atomic/molecular/optical
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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