CORDIS Project
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This project aims to advance density-functional theory (DFT) to study complex materials and systems. By developing new computational methods, it seeks to improve the accuracy of DFT in applications such as superconductors and magnetic systems, impacting fields like chemistry and materials science.
Density-functional theory (DFT) is the most widely used method to study the electronic structure of complex molecules, solids, and materials.
Its use across chemistry, solid-state physics and materials science is a testament to its black-box nature and low cost.
However, many important areas remain inaccessible to DFT simulations, including applications to strongly correlated materials and systems in electromagnetic fields.
The topDFT project will deliver new conceptual approaches to design the…
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