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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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techniques, including (TD)DFT and post-DFT analyses, alongside spin dynamics simulations. The primary goal is to investigate how collective excitations and topological effects influence quantum transport and
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the Individual Assignment of Duties. Where to apply Website https://form.erecruiter.pl/form/ed05973a3e02467fa3a3f9e10e4a9324?skkcfg=0596d66… Requirements Research FieldPhysics » Surface physicsEducation LevelPhD
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. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
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coding for material applications is highly meritorious. Experience in ab-initio and DFT calculations of solid materials, are both meritorious. What you will do Develop your own scientific concepts and
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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
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computational, theoretical, or physical chemistry, or chemical physics. Candidates with expertise in density functional theory (DFT) or theoretical spectroscopy are particularly encouraged to apply. 4 selected