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Job Duty Conduct molecular simulation studies of soft materials. Analyze structure, dynamics, and transport properties using computational tools. Maintain reproducible workflows and manage data on local
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electronic excited states. Further, we use and develop classical and quantum dynamical methods to explain molecular photochemical process, also in complex environments. Your personal sphere of play: A
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, molecular assemblies — are out-of-equilibrium systems whose dynamics emerge from the coupling between stochastic fluctuations, internal forces, collective interactions, and geometry. Their quantitative
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, molecular dynamics simulation, or PFAS chemistry would also be desirable. This role would suit an individual with excellent communication and project management skills, and the ability to work effectively
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responses. Structural Bioinformatics & Biophysical Modeling: Protein structure prediction (e.g., AlphaFold, RoseTTAFold, ESMFold), molecular dynamics (MD) simulations, or protein-protein/antigen-antibody
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | 23 days ago
techniques Chemistry » Molecular chemistry Chemistry » Organic chemistry Chemistry » Other Chemistry » Physical chemistry Chemistry » Reaction mechanisms and dynamics Chemistry » Structural chemistry
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) of high-temperature and pyrometallurgical processes; Molecular dynamics simulations of molten oxide and slag systems; Experimental determination of thermophysical, structural, and rheological properties of slags and
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molecular and quantum materials containing lanthanide centers poses significant challenges due to the need to describe spin-orbit coupling (SOC), scalar relativistic effects, and both dynamic and non-dynamic
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, RoseTTAFold, ESMFold), molecular dynamics (MD) simulations, or protein-protein/antigen-antibody docking to investigate viral spike/capsid architecture, thermal stability, and immune epitope accessibility. AI
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position in a professional, dynamically developing team, recognizable in its research field possibility of conference trips cooperation with the best molecular spectroscopy teams no teaching duties Salary