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nanoporous media; Atomistic simulation of chemical reactions and/or thin-film growth; Data-driven cheminformatics for molecular modeling and/or design; Molecular dynamics simulations. Your background and
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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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, 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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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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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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of experimental datasets with modeling and simulation frameworks Dynamic simulation and digital twins for industrial chemical processes Process optimization and model-based decision support tools Development
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of academic success for a Post-Doctoral Associate position. The research will focus on the development and use of machine learning and advanced molecular dynamics techniques for molecular simulations and to
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. Joining the School of Natural Sciences , you will be involved in constructing a first complete atomic model and conducting large-scale Molecular Dynamics (MD) simulations of the yeast kinetochore
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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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processes Development of phenomenological, thermodynamic, and kinetic models for complex reactive systems Integration of experimental datasets with modeling and simulation frameworks Dynamic simulation and