CORDIS Project
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This project aims to improve the modeling of disordered materials by developing new quantum chemistry methods that go beyond traditional density functional theory. By integrating machine learning and advanced mathematical models, it seeks to accurately predict the properties of materials critical for applications like…
This proposal aims to advance the modeling of disordered correlated-electron materials by developing novel ab-initio quantum chemistry methods that challenge the prevailing dominance of density functional theory (DFT) in this area.
By harnessing recent breakthroughs in Green's function techniques, machine learning, and advanced mathematical models, we propose a comprehensive suite of tools for predicting spectral and thermodynamic properties of disordered materials.
The methods developed in thi…
UNIWERSYTET WARSZAWSKI
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