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Field
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. The postdoctoral researcher will be responsible for performing quantum mechanical (QM) calculations, molecular dynamics (MD) simulations, and force field parameterization to support ongoing interdisciplinary
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-molecular-weight biologically active ligands – development and optimization of efficient encapsulation procedures. Synthesis of polymeric nanoparticles and construction of final therapeutic systems
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Degree is in chemistry, biology, or related field. A strong background in computational biology/chemistry (e.g. molecular dynamics simulations) and machine learning is essential. Required License
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of very large data sets, data analysis, and simulations of X-ray scattering and spectroscopy signatures of dynamic processes in battery materials. The theoretical/ simulation efforts are supported by
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environment in terms of appropriate chemical descriptors (e.g. polarity, cavity shape, pH) Perform molecular dynamics simulations to sample a dynamic range of protein-pigment conformations Construct a series of
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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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molecular dynamics simulations and in silico screening to assess inhibitor-target interactions and predict selectivity. Clone, express, and purify top candidates using high-throughput bacterial systems and
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and reduction of very large data sets, data analysis, and simulations of X-ray scattering and spectroscopy signatures of dynamic processes in battery materials. The theoretical/ simulation efforts
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is expected to have strong independent problem-solving skills in molecular simulations and track the most recent research progress in the literature related to the projects. The candidate is expected
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behavior within the storage system to optimize design and performance. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational