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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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feed in scientific results for the national and international environment and climate policy. It performs multiscale research from molecular to global scale and focuses on climate change, air quality
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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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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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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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will involve a combination of simulation and statistical modelling. Your key responsibilities will be: Lead analysis of State response data to estimate detection, occupancy, and spread of PSHB Engage
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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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. 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