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molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel
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, particularly machine-learned interatomic potentials, in the context of chemical research. Knowledge of atomistic and coarse-grained classical force fields. Experience creating and maintaining scientific software
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) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
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vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
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atomistic simulations to overcome the limitations of traditional molecular dynamics approaches, which struggle to capture the experimentally relevant size (20–100 nm) and molecular complexity of LNPs. ML
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Posting Summary Logo Posting Number RTF00028PO21 USC Market Title Post Doctoral Fellow Link to USC Market Title https://uscjobs.sc.edu/titles/8219 Business Title Post Doctoral Fellow Campus Columbia