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%. Website for additional job details https://dozer.i3s.up.pt/applicationmanagement/#/addapplications/ed57d96ab60761b… Work Location(s) Number of offers available1Company/InstituteInstitute for Molecular and
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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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– Molecular-Scale Modelling This PhD position focuses on molecular-scale computational modelling of polymer-hybrid anion-exchange membranes. The project involves DFT, molecular dynamics, and Monte Carlo
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.The tender admission general requirements are those defined in the previous point 6, and additional specific requirements are to have proven experience in (i) molecular dynamics (MD) simulations of condensed
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molecular dynamics; and enhanced-sampling free-energy methods (e.g., metadynamics and thermodynamic integration) to quantify adsorption and interfacial reaction processes. The research also includes method