Vibronic dynamics from real-time time-dependent density-functional theory coupled to the Ehrenfest scheme: the example of p-coumaric acid von Guerrini, Michele, Krumland, Jannis, Cocchi, Caterina

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Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of the Donor Conjugation Length von Valencia, Ana M, Cocchi, Caterina

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Air stability of monolayer WSi2N4 in dark and bright conditions von Driouech, Mustapha, Cocchi, Caterina, Ramzan, Muhammad Sufyan

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Bethe–Salpeter equation for absorption and scattering spectroscopy: implementation in the exciting code von Vorwerk, Christian, Aurich, Benjamin, Cocchi, Caterina, Draxl, Claudia

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Strained Monolayer MoTe2 as a Photon Absorber in the Telecom Range von Ramzan, Muhammad Sufyan, Cocchi, Caterina

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Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules von Krumland, Jannis, Valencia, Ana M., Pittalis, Stefano, Rozzi, Carlo A., Cocchi, Caterina

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Understanding the evolution of the Raman spectra of molecularly p-doped poly(3-hexylthiophene-2,5-diyl): signatures of polarons and bipolarons von Mansour, Ahmed E, Valencia, Ana M, Lungwitz, Dominique, Wegner, Berthold, Tanaka, Naoki, Shoji, Yoshiaki, Fukushima, Takanori, Opitz, Andreas, Cocchi, Caterina, Koch, Norbert

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Phonon-driven intra-exciton Rabi oscillations in CsPbBr3 halide perovskites von Nguyen, Xuan Trung, Winte, Katrin, Timmer, Daniel, Rakita, Yevgeny, Ceratti, Davide Raffaele, Aharon, Sigalit, Ramzan, Muhammad Sufyan, Cocchi, Caterina, Lorke, Michael, Jahnke, Frank, Cahen, David, Lienau, Christoph, De Sio, Antonietta

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Ab Initio Quantum-Mechanical Predictions of Semiconducting Photocathode Materials von Cocchi, Caterina, Saßnick, Holger-Dietrich

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Automated analysis of surface facets: the example of cesium telluride von Saßnick, Holger-Dietrich, Cocchi, Caterina

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Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions von Cocchi, Caterina, Prezzi, Deborah, Ruini, Alice, Caldas, Marilia J, Molinari, Elisa

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Strain-free MoS2/ZrGe2N4 van der Waals Heterostructure: Tunable Electronic Properties with Type-II Band Alignment von Driouech, Mustapha, Mitra, Amrita, Cocchi, Caterina, Ramzan, Muhammad Sufyan

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Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES von Buades, Bárbara, Picón, Antonio, Berger, Emma, León, Iker, Di Palo, Nicola, Cousin, Seth L., Cocchi, Caterina, Pellegrin, Eric, Martin, Javier Herrero, Mañas-Valero, Samuel, Coronado, Eugenio, Danz, Thomas, Draxl, Claudia, Uemoto, Mitsuharu, Yabana, Kazuhiro, Schultze, Martin, Wall, Simon, Zürch, Michael, Biegert, Jens

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Thermodynamic stability and vibrational properties of multi-alkali antimonides von Santana-Andreo, Julia, Saßnick, Holger-Dietrich, Cocchi, Caterina

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Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride von Aggoune, Wahib, Cocchi, Caterina, Nabok, Dmitrii, Rezouali, Karim, Belkhir, Mohamed Akli, Draxl, Claudia

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X‐Ray Absorption Fingerprints from Cs Atoms in Cs3Sb von Cocchi, Caterina

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Ab Initio Modeling of Mixed-Dimensional Heterostructures: A Path Forward von Krumland, Jannis, Cocchi, Caterina

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Electronic Structure of Low‐Dimensional Inorganic/Organic Interfaces: Hybrid Density Functional Theory, G 0 W 0, and Electrostatic Models von Krumland, Jannis, Cocchi, Caterina

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Electronic Structure of Low‐Dimensional Inorganic/Organic Interfaces: Hybrid Density Functional Theory, G0W0, and Electrostatic Models von Krumland, Jannis, Cocchi, Caterina

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Modeling the electronic structure of organic materials: a solid-state physicist’s perspective von Cocchi, Caterina, Guerrini, Michele, Krumland, Jannis, Trung Nguyen, Ngoc, Valencia, Ana M

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