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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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meet the requirements for admission to the NV faculty's Doctoral Programme https://www.ntnu.edu/nv/phd Competence in programming (e.g. Python or similar). Good oral and written presentation skills in
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. Interpretation of experimental results and integration with theoretical/DFT insights in collaboration with computational partners. Active participation in synchrotron beamtime experiments (XANES, EXAFS) and post
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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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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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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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: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale simulations. Data-driven materials discovery: ML models for property prediction, materials design, or synthesis
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in written and oral English. Experience in DFT-based molecular dynamics simulations and free energy calculation (e.g., metadynamics and free energy perturbation) in condensed phase systems. Programming
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fluent in written and spoken English. Desirable qualifications: Experiences in battery technology, especially Li-ion batteries, will be beneficial; as is comptences in materials modelling (DFT, MD, etc
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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