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heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
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Healthcare Monitoring We welcome applications from those with expertise in or across these disciplines: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale
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Minimum Qualifications: Ph.D. in Materials Science, Physics, Chemistry, Mechanical Engineering, or related fields Preferred Qualifications: Strong expertise in atomic-scale simulations (e.g., MD, DFT, ML-FF
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staff position within a Research Infrastructure? No Offer Description Within the MSCA project: Chiral Nanocluster Materials (CHIRALNANOMAT) https://cordis.europa.eu/project/id/101227458 http
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automates building and modifying surface structures, submitting DFT calculations, post-processing electronic structure and vacancy energies, and extracting machine-learning descriptors for modeling oxygen
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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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) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
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with thermodynamic and kinetic analyses by ITC, cyclic voltammetry, and DFT-D calculations. b) Justification of the contract duration The proposed duration of the contract is considered sufficient to carry out
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Healthcare Monitoring We welcome applications from those with expertise in or across these disciplines: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale
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methods to simulate between functional chemically active surfaces and molecules/liquids. Central methodologies include: static DFT calculations; TBMD and AIMD; classical atomistic and coarse-grained