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Field
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be delocalised, hence describable with standard DFT exchange and correlation, or localised and subject to strong correlations. This aspect and the local structural and compositional environment
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PhD/postdoc fellows) to carry out experimental projects with an EMBL host research group, thereby allowing them to build new networks, experience the international and interactive environment at EMBL
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(CFD), including chemical reaction models, but could also involve other modeling methods such as Density Functional Theory (DFT) or kinetic Monte Carlo. Your qualifications You have graduated at Master’s
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the use of excited-state methods (TD-DFT, ADC(2), etc.) to explore the relationships between the molecular structures, photoinduced electron transfer (PeT), and chirality in strong connexion with
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Qualifications Familiar with Ab-initio calculation packages (VASP(plane wave basis set), JAGUAR(Gaussian basis sets), CRYSTAL(hybrid DFT with Gaussian basis sets)), MD simulation software (LAMMPS), bond-detecting
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Michelle Spencer (michelle.spencer@rmit.edu.au ), specifically mentioning this scholarship, to express their interest and apply through the RMIT application process. Candidates with prior experience in DFT
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Carlo (MC), as well as quantum approaches like Density Functional Theory (DFT). Develop novel Graph Neural Network (GNN) potentials to accurately represent the catalytic behavior of specific species
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Description of the project: The Spintronics and Nanodevices group lead by Prof. Saül Vélez (www.velezlab.es) is looking for 1 postdoc and 1 PhD student to join the team. The candidates will work
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postdocs at Chalmers, and collaborate with academic and industrial partners in Sweden and internationally. The role also offers opportunities for travel and engagement with external collaborators. Research
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including