Quick start to performing ab-initio simulations | VASP Lecture
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Quick start to performing ab-initio simulations | VASP Lecture
Marie-Therese Huebsch presents an introduction to density functional theory (DFT) as formulated by Hohenberg, Kohn and Sham and covers the many layers of approximations, tricks and tips required to ultimately yield a formulation of the quantum mechanical problem of finding the electronic ground state that is computationally feasible. In the end ...
11.4K viewsJan 7, 2024
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