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Field
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materials using molecular simulation and artificial intelligence. The position will support startup-funded research in the Jiang Group focused on integrated modeling and machine learning for energy 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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thermal energy storage using a combination of molecular dynamics and process-scale simulations. By linking molecular-level understanding to engineering-scale performance, you will contribute
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computational chemistry techniques, including molecular dynamics, quantum mechanical simulations, and machine learning. Proficiency in programming languages and computational software’s. Strong motivation and
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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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will participate in conducting multiscale modeling such as quantum mechanics density functional theory calculations, molecular dynamics simulations, Monte Carlo simulations, and/or machine learning
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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
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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