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will carry out method development and computer simulations of molecular materials with the objective of designing better components for photovoltaic cells based on the principles of singlet fission
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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project pertains to " Theory, simulation or experiments for fusion plasmas produced by inertial confinement. ", in CELIA (Centre lasers intenses et applications) or in LULI (Laboratoire pour l'utilisation
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apply ultra-fast machine-learning interatomic potentials (UFPs, Xie et al., npj Comput. Mater., 2023, 10.1038/s41524-023-01092-7 ) for long, multi-million-atom molecular dynamics (MD) simulations
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will employ advanced molecular, cellular, and systems biology methods and tools. The main goal of the project is to expand our understanding of the intersection of hypothalamic-pituitary communication
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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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modeling. For more details, please view https://www.ntu.edu.sg/cee. We are looking for a Postdoctoral Researcher to advance innovative research in multiscale clay science and geotechnical engineering. The
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experience on geotechnical engineering Relevant research experience in molecular dynamics simulations and computational fluid dynamics will be preferred. Excellent proposal writing and report writing skill
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research associates to apply molecular simulation and mathematical methods to extend and develop these predictive tools into a broadly usable pipeline. Drs. Wei and Woldring will expect candidates with
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-QM methodology on molecule-metal interfaces by simulating surface catalytic reactions and spectroscopy. This project will directly support molecular optoelectronics design and catalyst design research