Author

Y. Pouillon

2 papers indexed here

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Preprint Oct 2026

SIESTA-QCOMP: Bridging Classical and Quantum Computing for Strongly Correlated Systems

Density Functional Theory (DFT) is the established workhorse of computational materials science, yet it faces fundamental challenges with strongly correlated electrons, such as in transition metal complexes and bond-breaking processes. While quantum computing offers a theoretically exact path to resolve these problems,...

Y. Pouillon, F. Marchesin, I. Tavernelli et al. · 0 citations

Open access Sep 2026

Rapid functionalization of single-walled carbon nanotubes in polar solvents

Fluorescent semiconducting single-walled carbon nanotubes (SWCNTs) hold considerable promise for photonics. Furthermore, their optical characteristics can be improved by functionalization, which generates additional spectral features. However, the importance of the solvent in which the SWCNT modification is conducted r...

D. Just, Ryszard Siedlecki, Maciej Krzywiecki et al. · Science Advances · 0 citations