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cost of MD simulations by several orders of magnitude. Notable examples of our work in this area include Boltzmann Generators [1 ,2 ], Surrogate-model Assisted Molecular Dynamics [3 ], and Implicit
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background in computational and/or mechanistic modelling of physical, chemical, or biological systems (e.g., PBPK, molecular dynamics) Experience with cheminformatics libraries and chemical datasets is an
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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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of novel organic mixed ionic/electronic conductors leveraging AI, quantum chemistry, and molecular dynamics simulations. The candidate will work in close collaboration with experimental groups providing
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Healthcare Monitoring We welcome applications from those with expertise in or across these disciplines: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale
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Nature Careers | Vancouver South Shaughnessy NW Oakridge NE Kerrisdale SE Arbutus Ridge, British Columbia | Canada | 6 days ago
. This fellowship offers an exciting opportunity to contribute to groundbreaking work at the intersection of mitochondrial research and molecular diagnostics. Cardiovascular diseases (CVD) risk assessment is
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. Department: Randall Cell & Molecular Biophysics. Contact details:Maddy Parsons. maddy.parsons@kcl.ac.uk Location: Guy's Campus. Category: Research. About Us The Parsons Group, King’s College London , has