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Journal of the American Chemical Society|June 2, 2026
Electronic Excited-State Dynamics of Au<sub>25</sub> and Au<sub>38</sub> Studied by Ab Initio Transient Absorption SpectroscopyZhen Liu, Jannis Krumland, Caterina Cocchi, et al.Physical Chemistry Chemical Physics : PCCP|September 15, 2021
First-principles analysis of the optical properties of lead halide perovskite solution precursorsGiovanni Procida, Richard Schier, Ana M Valencia, et al.The Journal of Physical Chemistry Letters|October 31, 2024
Ultrafast Time-Domain Spectroscopy Reveals Coherent Vibronic Couplings upon Electronic Excitation in Crystalline Organic Thin FilmsSomayeh Souri, Daniel Timmer, Daniel C Lünemann, et al.The Journal of Chemical Physics|December 18, 2016
Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactionsCaterina Cocchi, Thomas Moldt, Cornelius Gahl, et al.Journal of Chemical Theory and Computation|July 14, 2025
Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and Its DerivativesJoshua Edzards, Julia Santana-Andreo, Holger-Dietrich Saßnick, et al.The Journal of Chemical Physics|May 10, 2024
Tuning structural and electronic properties of metal-organic framework 5 by metal substitution and linker functionalizationJoshua Edzards, Holger-Dietrich Saßnick, Julia Santana Andreo, et al.Physical Chemistry Chemical Physics : PCCP|May 17, 2016
Polymorphism in α-sexithiophene crystals: relative stability and transition pathBernhard Klett, Caterina Cocchi, Linus Pithan, et al.Physical Chemistry Chemical Physics : PCCP|February 24, 2017
Graphene-modulated photo-absorption in adsorbed azobenzene monolayersQiang Fu, Caterina Cocchi, Dmitrii Nabok, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 1, 2018
First-principles many-body study of the electronic and optical properties of CsK<sub>2</sub>Sb, a semiconducting material for ultra-bright electron sourcesCaterina Cocchi, Sonal Mistry, Martin Schmeißer, et al.Journal of Chemical Theory and Computation|April 16, 2019
Quantifying the Plasmonic Character of Optical Excitations in a Molecular J-AggregateMichele Guerrini, Arrigo Calzolari, Daniele Varsano, et al.Pageof 7