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docking for ligand optimization • perform extensive molecular dynamics (MD) simulations (AMBER, NAMD, GROMACS) in fully hydrated lipid bilayer systems to replicate physiological conditions and assess
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nanoparticles. The goal of the PhD will be to seek mechanistic insight into the electrode polarization processes as well as strategies for improving performance by optimization of composition, microstructure, and
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of the structures, and reinforcement learning methods for optimizing the structures for particular applications. An underlying motivation is to understand the internal representations developed by the machine
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probabilistic behavioral models for verification, performance evaluation, and optimization using model-checking techniques, ultimately bridging static system design and dynamic operational analysis. We offer
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properties optimized as selective oxygen carriers advanced characterization of surface and bulk kinetics — isotope gas‑phase analysis and electrochemical methods studies of surface micro-, defect- and