CORDIS Project
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This project aims to revolutionize computational materials science by developing advanced methods for predicting material properties. It focuses on improving the accuracy and efficiency of simulations for both ground and excited state properties, addressing key challenges in the field.
Computational materials science, using ab initio simulations and high-performance computing, is expected to play a key role in realizing the vision of ‘materials by design’.
However, the goal to discover game-changing materials with scientific and industrial relevance requires highly accurate ab initio methods for excited state as well as ground state properties of atoms, molecules and solids.
So far, due to the computational complexities involved, methods with systematically improvable accuracy…
TECHNISCHE UNIVERSITAET WIEN
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