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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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Dipartimento di Scienze Biomediche Sperimentali e Cliniche "Mario Serio" - Università degli Studi di Firenze | Italy | about 14 hours ago
) The successful candidate will engage in cutting-edge research covering various aspects of biomedical sciences and biotechnology, including but not limited to: • Molecular and cellular biology of solid tumours
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How does a molecule walk? Computer simulations of molecular machines in action School of Mathematical and Physical Sciences PhD Research Project Directly Funded UK Students Prof Sarah Harris, Dr
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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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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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Department of Clinical Microbiology The Dwibedi research group at the Department of Clinical Microbiology and the Laboratory for Molecular Infection Medicine Sweden (MIMS; https://www.mims.umu.se
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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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The selected candidate will contribute to the development and application of advanced molecular simulation methodologies. The main tasks include: Study, implementation and development of ML-based force fields
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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
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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