Laura Galleni (@LauraGalleni) profile picture

Laura Galleni

@LauraGalleni

PhD candidate at @KU_Leuven and @imec_int. Ab initio modeling, core electrons, EUV-matter interactions

Joined September 2022
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Just out online, a #compchem approach to calculate XPS spectra of polymers at the GW level of theory. @Dr_Escudero @LauraGalleni The full story at: doi.org/10.1021/acs.jpclett.… @ETSFlab
Modeling X‑ray Photoelectron Spectroscopy of Macromolecules Using GW

Modeling X‑ray Photoelectron Spectroscopy of Macromolecules Using GW

Abstract. We propose a simple additive approach to simulate X-ray photoelectron spectra (XPS) of macromolecules based on the GW method. Single-shot GW (G0W

pubs.acs.org
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Congrats to @LauraGalleni for her first author paper out of her PhD work and thanks to all the people involved @mjvansetten, Geoffrey Pourtois, Thierry Conard. #compchem pubs.acs.org/doi/10.1021/acs…
Modeling X‑ray Photoelectron Spectroscopy of Macromolecules Using GW

Modeling X‑ray Photoelectron Spectroscopy of Macromolecules Using GW

Abstract. We propose a simple additive approach to simulate X-ray photoelectron spectra (XPS) of macromolecules based on the GW method. Single-shot GW (G0W

pubs.acs.org
1
3
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