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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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will be put on the effect of structural defects on the electronic properties of the investigated heterojunctions. While we will mainly use density functional theory (DFT) to achieve these goals, we will
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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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on the electronic properties of the investigated heterojunctions. While we will mainly use density functional theory (DFT) to achieve these goals, we will also exploit machine-learning techniques to train more
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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