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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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nanocrystals and carry out Brownian and molecular dynamics simulations of their self-assembly behavior in solution, on surfaces, or trapped at fluidfluid interfaces. 2) Carry out free energy calculations using
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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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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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) 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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. 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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by time of appointment. The proposed research will leverage multiple computational many-body techniques (including classical and quantum Monte Carlo, molecular dynamics, and ab initio methods) and