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Field
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methods and workflows for chemical problems and experience using simulation software Demonstrated experience with various computational chemistry techniques: DFT-, force-field- and/or molecular-dynamics
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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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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations
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hybrid organic-inorganic glasses and compare their vibrational properties against each other as well as more established glass families. The project will complement molecular dynamics simulations with
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dependents. Position Summary: Molecular Pathology is a very dynamic area of the laboratory. Novel clinical tests are often introduced, existing methodologies are often upgraded or replaced, and send-out tests
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-Performance Computing Advanced Know-How in the fields of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional
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, Environmental Science) Focus on scaling ecohydrological functioning across urban landscapes and evaluating the impacts of water restrictions on urban heat under varying climate conditions. Environmental Molecular
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of Coimbra III- Scientific supervision/coordination of the grant: Magda Matos Santana IV - Work Plan / Goals to be achieved: The selected candidate will join a dynamic translational research team to develop a
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datasets across broad chemical space Evaluate models through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs
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microbial pathogenesis. Research spans both cellular and molecular aspects of infections caused by bacteria, viruses, and fungi, as well as immune regulation of these processes. The department comprises