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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. This position emphasizes research in the modeling of complex chemical systems, where the candidate will integrate advanced simulation techniques with modern machine learning
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, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse molecular
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cutting-edge experimental and computational technologies. Our aim is to dissect dynamics and cellular programmes active during human blood lineage development and to decipher how haematopoietic
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analytical tools. Molecular dynamics of semiconductor-oxide interface. Numerical simulations of the oxide condensation process based on force-field data. The topic will require numerical simulations and
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to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular dynamics, and materials chemistry. Strong
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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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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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) 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