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have experience of using molecular dynamics and/or density functional theory methods and a proven ability to structure, manage and work with quantitative data. You will be able to evidence designing and
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] - Dynamical Mean-Field Theory (DMFT) and Density Functional Theory (DFT) - Density Matrix Embedding Theory (DMET) - Density Matrix Renormalization Group (DMRG) - Quantum Monte Carlo (QMC) - Tensor network
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that operate at room temperature. In this project, Density Functional Theory (DFT) calculations will be used to simulate defect structures of h-BN, like substitutional, vacancy and interstitial defects
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