Caterina Cocchi

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All published works
Action Title Year Authors
+ PDF Chat Electronic and optical properties of computationally predicted Na-K-Sb crystals 2025 Chaoliang Xu
Richard Schier
Caterina Cocchi
+ PDF Chat Electronic and optical properties of computationally predicted Na-K-Sb crystals 2024 Chongying Xu
Richard Schier
Caterina Cocchi
+ PDF Chat First‐Principle Characterization of Structural, Electronic, and Optical Properties of Tin‐Halide Monomers 2024 Freerk Schütt
Ana M. Valencia
Caterina Cocchi
+ Thermodynamic stability and vibrational properties of multi-alkali antimonides 2024 Julia Santana-Andreo
Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface 2024 Matheus Jacobs
Karen Fidanyan
Mariana Rossi
Caterina Cocchi
+ Tuning structural and electronic properties of metal-organic framework 5 by metal substitution and linker functionalization 2024 Joshua Edzards
Holger‐Dietrich Saßnick
Julia Santana-Andreo
Caterina Cocchi
+ PDF Chat X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory 2024 Konstantin Lion
Caterina Cocchi
Claudia Draxl
+ PDF Chat Thermodynamic stability and vibrational properties of multi-alkali antimonides 2024 Julia Santana-Andreo
Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers 2024 Freerk Schütt
Ana M. Valencia
Caterina Cocchi
+ PDF Chat Electronic properties of MoSe$_2$ nanowrinkles 2024 Stefan Velja
Jannis Krumland
Caterina Cocchi
+ PDF Chat Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization 2024 Joshua Edzards
Holger‐Dietrich Saßnick
Julia Santana-Andreo
Caterina Cocchi
+ Two-dimensional electronic spectroscopy from first principles 2024 Jannis Krumland
Michele Guerrini
Antonietta De Sio
Christoph Lienau
Caterina Cocchi
+ PDF Chat Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks 2024 Holger‐Dietrich Saßnick
Fabiana Machado Ferreira De Araujo
Joshua Edzards
Caterina Cocchi
+ Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks 2023 Joshua Edzards
Holger‐Dietrich Saßnick
Ana Guilherme Buzanich
Ana M. Valencia
Franziska Emmerling
Sebastian Beyer
Caterina Cocchi
+ Pulse-Induced Dynamics of a Charge-Transfer Complex from First Principles 2023 Matheus Jacobs
Jannis Krumland
Ana M. Valencia
Caterina Cocchi
+ PDF Chat Electronic Structure and Optical Properties of Tin Iodide Solution Complexes 2023 Freerk Schütt
Ana M. Valencia
Caterina Cocchi
+ Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs 2023 Fabiana Machado Ferreira De Araujo
Daniel Duarte-Ruiz
Holger‐Dietrich Saßnick
Marie C. Gentzmann
Thomas Huthwelker
Caterina Cocchi
+ Electronic structure of low-dimensional inorganic/organic interfaces: Hybrid density functional theory, $G_0W_0$, and electrostatic models 2023 Jannis Krumland
Caterina Cocchi
+ Vibronic Couplings and Temperature Effects in the Ultrafast Dynamics of a Charge-Transfer Complex 2023 Matheus Jacobs
Jannis Krumland
Ana M. Valencia
Caterina Cocchi
+ Electronic Structure and Optical Properties of Tin Iodide Solution Complexes 2023 Freerk Schütt
Ana M. Valencia
Caterina Cocchi
+ X-ray absorption spectroscopy of oligothiophene crystals from ab initio many-body theory 2023 Konstantin Lion
Caterina Cocchi
Claudia Draxl
+ Two-dimensional electronic spectroscopy from first principles 2023 Jannis Krumland
Michele Guerrini
Antonietta De Sio
Christoph Lienau
Caterina Cocchi
+ Interlayer vibrational hybrid normal mode enabling molecular chiral phonons 2023 H. Hamdi
Jannis Krumland
Ana M. Valencia
Carlos‐Andres Palma
Caterina Cocchi
+ The Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks 2023 Joshua Edzards
Holger‐Dietrich Saßnick
Ana Guilherme Buzanich
Ana M. Valencia
Franziska Emmerling
Sebastian Beyer
Caterina Cocchi
+ Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers 2023 Muhammad Sufyan Ramzan
Tomasz Woźniak
Agnieszka Kuc
Caterina Cocchi
+ Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface 2023 Matheus Jacobs
Karen Fidanyan
Mariana Rossi
Caterina Cocchi
+ Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks 2023 Holger‐Dietrich Saßnick
Fabiana Machado Ferreira De Araujo
Joshua Edzards
Caterina Cocchi
+ Magnification of Plasmon Resonances in Monolayer MoS$_{2}$ via Conjugated Molecular Adsorbates 2023 Juan Pablo Guerrero-Felipe
Ana M. Valencia
Caterina Cocchi
+ PDF Chat Modeling the electronic structure of organic materials: a solid-state physicist’s perspective 2022 Caterina Cocchi
Michele Guerrini
Jannis Krumland
Ngoc Trung Nguyen
Ana M. Valencia
+ PDF Chat Stability and electronic properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>CsK</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mi>Sb</mml:mi></mml:math> surface facets 2022 Richard Schier
Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat <i>Ab initio</i> simulation of laser-induced electronic and vibrational coherence 2022 Jannis Krumland
Matheus Jacobs
Caterina Cocchi
+ PDF Chat Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction 2022 Matheus Jacobs
Jannis Krumland
Caterina Cocchi
+ PDF Chat Exploring cesium–tellurium phase space via high-throughput calculations beyond semi-local density-functional theory 2022 Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS<sub>2</sub> monolayers 2022 Giacomo Melani
Juan Pablo Guerrero-Felipe
Ana M. Valencia
Jannis Krumland
Caterina Cocchi
Marcella Iannuzzi
+ Stability and electronic properties of CsK$_2$Sb surface facets 2022 Richard Schier
Holger-Dietrich Sassnick
Caterina Cocchi
+ Modeling the electronic structure of organic materials: A solid-state physicist's perspective 2022 Caterina Cocchi
Michele Guerrini
Jannis Krumland
Ngoc Trung Nguyen
Ana M. Valencia
+ Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs 2022 Fabiana Machado Ferreira De Araujo
Daniel Duarte-Ruiz
Holger‐Dietrich Saßnick
Marie C. Gentzmann
Thomas Huthwelker
Caterina Cocchi
+ PDF Chat Ab initio simulation of laser-induced electronic and vibrational coherence 2021 Jannis Krumland
Matheus Jacobs
Caterina Cocchi
+ PDF Chat Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules 2021 Jannis Krumland
Caterina Cocchi
+ PDF Chat Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and Its Cation 2021 Katherine R. Herperger
Jannis Krumland
Caterina Cocchi
+ PDF Chat Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Cocrystalline Films: Limits of Nonperiodic Modeling 2021 Darius Günder
Ana M. Valencia
Michele Guerrini
Tobias Breuer
Caterina Cocchi
Gregor Witte
+ Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling. 2021 Darius Günder
Ana M. Valencia
Michele Guerrini
Tobias Breuer
Caterina Cocchi
Gregor Witte
+ PDF Chat Formation of Near-IR Excitons in Low-Dimensional CuSbS<sub>2</sub> 2021 Kevin Conley
Caterina Cocchi
Tapio Ala-Nissilä
+ PDF Chat Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals 2021 Michele Guerrini
Ana M. Valencia
Caterina Cocchi
+ Formation of Near-IR Excitons in Low Dimensional CuSbS$_2$ 2021 Kevin Conley
Caterina Cocchi
Tapio Ala-Nissilä
+ PDF Chat Formation of Lead Halide Perovskite Precursors in Solution: Insight from Electronic‐Structure Theory 2021 Richard Schier
Alejandro Conesa Rodriguez
Ana M. Valencia
Caterina Cocchi
+ Electronic structure and optical properties of Na<sub>2</sub>KSb and NaK<sub>2</sub>Sb from first-principles many-body theory 2021 Raymond Amador
Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat LayerPCM: An implicit scheme for dielectric screening from layered substrates 2021 Jannis Krumland
Gabriel Gil
Stefano Corni
Caterina Cocchi
+ Long-Range Order Enhances Charge Transfer in Donor/Acceptor Co-Crystals. 2021 Michele Guerrini
Ana M. Valencia
Caterina Cocchi
+ Electronic structure of cesium-based photocathode materials from density functional theory: performance of PBE, SCAN, and HSE06 functionals 2021 Holger‐Dietrich Saßnick
Caterina Cocchi
+ PDF Chat Optical Fingerprints of Polynuclear Complexes in Lead Halide Perovskite Precursor Solutions 2021 Ana M. Valencia
Oleksandra Shargaieva
Richard Schier
Eva Unger
Caterina Cocchi
+ PDF Chat Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES 2021 Bárbara Buades
Antonio Picón
Emma Berger
Íker León
Nicola Di Palo
Seth L. Cousin
Caterina Cocchi
E. Pellegrin
Javier Herrero‐Martín
Samuel Mañas‐Valero
+ Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Which Exchange-Correlation Functional Can We Trust? 2021 Holger‐Dietrich Saßnick
Caterina Cocchi
+ Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach 2021 Alberto Guandalini
Caterina Cocchi
Stefano Pittalis
Alice Ruini
Carlo Andrea Rozzi
+ PDF Chat Exploring organic semiconductors in solution: the effects of solvation, alkylization, and doping 2021 Jannis Krumland
Ana M. Valencia
Caterina Cocchi
+ PDF Chat First-principles analysis of the optical properties of lead halide perovskite solution precursors 2021 Giovanni Procida
Richard Schier
Ana M. Valencia
Caterina Cocchi
+ Formation of Near-IR Excitons in Low Dimensional CuSbS$_2$ 2021 Kevin Conley
Caterina Cocchi
Tapio Ala-Nissilä
+ PDF Chat <i>exciting</i> core-level spectroscopy 2020 Claudia Draxl
Caterina Cocchi
+ Fingerprints of Iodoplumbate Chains in the Optical Absorption of Lead-Halide Perovskite Solution Precursors 2020 Ana M. Valencia
Oleksandra Shargaieva
Richard Schier
Eva Unger
Caterina Cocchi
+ PDF Chat Electronic and Optical Properties of Protonated Triazine Derivatives 2020 Michele Guerrini
Enrique Delgado Aznar
Caterina Cocchi
+ In situ functionalization of graphene 2020 Kyrylo Greben
Sviatoslav Kovalchuk
Ana M. Valencia
Jan Kirchhof
Sebastian Heeg
Philipp Rietsch
Stephanie Reich
Caterina Cocchi
Siegfried Eigler
Kirill I. Bolotin
+ In situ functionalization of graphene 2020 Kyrylo Greben
Sviatoslav Kovalchuk
Ana M. Valencia
Jan Kirchhof
Sebastian Heeg
Philipp Rietsch
Stephanie Reich
Caterina Cocchi
Siegfried Eigler
Kirill I. Bolotin
+ PDF Chat <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Mo</mml:mi><mml:msub><mml:mi>Te</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> as a natural hyperbolic material across the visible and the ultraviolet region 2020 Saeideh Edalati-Boostan
Caterina Cocchi
Claudia Draxl
+ PDF Chat Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules 2020 Jannis Krumland
Ana M. Valencia
Stefano Pittalis
Carlo Andrea Rozzi
Caterina Cocchi
+ PDF Chat Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures 2020 Wahib Aggoune
Caterina Cocchi
Dmitrii Nabok
Karim Rezouali
M.A. Belkhir
Claudia Draxl
+ PDF Chat Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from Ab Initio Many-Body Theory 2020 Richard Schier
Ana M. Valencia
Caterina Cocchi
+ Nonlinear Response of a Quantum System to Impulsive Perturbations: A Non-Perturbative Real-Time Approach 2020 Alberto Guandalini
Caterina Cocchi
Stefano Pittalis
Alice Ruini
Carlo Andrea Rozzi
+ PDF Chat Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface 2020 Matheus Jacobs
Jannis Krumland
Ana M. Valencia
Haiyuan Wang
Mariana Rossi
Caterina Cocchi
+ In situ functionalization of graphene 2020 Kyrylo Greben
Sviatoslav Kovalchuk
Ana M. Valencia
Jan Kirchhof
Sebastian Heeg
Philipp Rietsch
Stephanie Reich
Caterina Cocchi
Siegfried Eigler
Kirill I. Bolotin
+ PDF Chat Electronic and optical excitations of two-dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>ZrS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>HfS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> and their heterostructure 2019 Ka Wai Lau
Caterina Cocchi
Claudia Draxl
+ Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code 2019 Christian Vorwerk
Benjamin Aurich
Caterina Cocchi
Claudia Draxl
+ PDF Chat Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of the Donor Conjugation Length 2019 Ana M. Valencia
Caterina Cocchi
+ Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates 2019 Michele Guerrini
Caterina Cocchi
Arrigo Calzolari
Daniele Varsano
Stefano Corni
+ PDF Chat Impact of Polarity on Anisotropic Diffusion of Conjugated Organic Molecules on the (101̅0) Zinc Oxide Surface 2019 Mila Miletic
Karol Pałczynski
Matheus Jacobs
Ana M. Valencia
Caterina Cocchi
Joachim Dzubiella
+ Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface 2019 Mila Miletic
Karol Pałczynski
Matheus Jacobs
Ana M. Valencia
Caterina Cocchi
Joachim Dzubiella
+ Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code 2019 Christian Vorwerk
Benjamin Aurich
Caterina Cocchi
Claudia Draxl
+ Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface 2019 Mila Miletic
Karol Pałczynski
Matheus Jacobs
Ana M. Valencia
Caterina Cocchi
Joachim Dzubiella
+ PDF Chat First-principles many-body study of the electronic and optical properties of CsK<sub>2</sub>Sb, a semiconducting material for ultra-bright electron sources 2018 Caterina Cocchi
Sonal Mistry
Martin Schmeißer
Julius Kühn
T. Kamps
+ Attosecond-resolved petahertz carrier motion in semi-metallic TiS2 2018 Bárbara Buades
Antonio Picón
Íker León
Nicola Di Palo
Seth L. Cousin
Caterina Cocchi
E. Pellegrin
Javier Herrero‐Martín
Samuel Mañas‐Valero
Eugenio Coronado
+ Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES 2018 Bárbara Buades
Antonio Picón
Emma Berger
Íker León
Nicola Di Palo
Seth L. Cousin
Caterina Cocchi
E. Pellegrin
Javier Herrero‐Martín
Samuel Mañas‐Valero
+ PDF Chat Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES 2018 Bárbara Buades
Antonio Picón
Emma Berger
Íker León
Nicola Di Palo
Seth L. Cousin
Caterina Cocchi
E. Pellegrin
Javier Herrero‐Martín
Samuel Mañas‐Valero
+ Electronic and optical excitations at the pyridine/ZnO(10$\overline{1}$0) hybrid interface 2018 Olga Turkina
Dmitrii Nabok
Andris Guļāns
Caterina Cocchi
Claudia Draxl
+ PDF Chat Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride 2018 Wahib Aggoune
Caterina Cocchi
Dmitrii Nabok
Karim Rezouali
M.A. Belkhir
Claudia Draxl
+ PDF Chat Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites 2018 Christian Vorwerk
Claudia Hartmann
Caterina Cocchi
Golnaz Sadoughi
Severin N. Habisreutinger
Roberto Félix
Regan G. Wilks
Henry J. Snaith
Marcus Bär
Claudia Draxl
+ Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra 2018 Albin Hertrich
Caterina Cocchi
P. Pavone
Claudia Draxl
+ Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES 2018 Bárbara Buades
Antonio Picón
Emma Berger
Íker León
Nicola Di Palo
Seth L. Cousin
Caterina Cocchi
E. Pellegrin
Javier Herrero‐Martín
Samuel Mañas‐Valero
+ Electronic and optical excitations at the pyridine/ZnO(10$\overline{1}$0) hybrid interface 2018 О. М. Turkina
Dmitrii Nabok
Andris Guļāns
Caterina Cocchi
Claudia Draxl
+ PDF Chat Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers 2017 Caterina Cocchi
Claudia Draxl
+ PDF Chat Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles 2017 Christian Vorwerk
Caterina Cocchi
Claudia Draxl
+ PDF Chat Enhanced Light–Matter Interaction in Graphene/h-BN van der Waals Heterostructures 2017 Wahib Aggoune
Caterina Cocchi
Dmitrii Nabok
Karim Rezouali
M.A. Belkhir
Claudia Draxl
+ Exciting core-level spectroscopy 2017 Claudia Draxl
Caterina Cocchi
+ PDF Chat Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions 2016 Caterina Cocchi
Thomas Moldt
Cornelius Gahl
Martin Weinelt
Claudia Draxl
+ Addressing electron-hole correlation in core excitations of solids: A first-principles all-electron approach based on many-body perturbation theory 2016 Christian Vorwerk
Caterina Cocchi
Claudia Draxl
+ PDF Chat Atomic signatures of local environment from core-level spectroscopy in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>β</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi>Ga</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> 2016 Caterina Cocchi
Hannes Zschiesche
Dmitrii Nabok
Anna Mogilatenko
M. Albrecht
Zbigniew Galazka
Holm Kirmse
Claudia Draxl
Christoph T. Koch
+ Signatures of local environment from atom-resolved core spectroscopy in $\beta$-$\text{Ga}_2\text{O}_3$ 2016 Caterina Cocchi
Hannes Zschiesche
Dmitrii Nabok
Anna Mogilatenko
M. Albrecht
Zbigniew Galazka
Holm Kirmse
Claudia Draxl
Christoph T. Koch
+ PDF Chat LayerOptics: Microscopic modeling of optical coefficients in layered materials 2016 Christian Vorwerk
Caterina Cocchi
Claudia Draxl
+ PDF Chat Polymorphism in α-sexithiophene crystals: relative stability and transition path 2016 Klett Bernhard
Caterina Cocchi
Linus Pithan
Stefan Kowarik
Claudia Draxl
+ Atomic signatures of local environment from core spectroscopy in -Ga 2 O 3 2016 Caterina Cocchi
Hannes Zschiesche
Dmitrii Nabok
Anna Mogilatenko
M. Albrecht
Zbigniew Galazka
Holm Kirmse
Claudia Draxl
Christoph T. Koch
+ PDF Chat Optical spectra from molecules to crystals: Insight from many-body perturbation theory 2015 Caterina Cocchi
Claudia Draxl
+ PDF Chat Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers 2015 Caterina Cocchi
Claudia Draxl
+ PDF Chat Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons 2014 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
Elisa Molinari
+ PDF Chat <i>Ab Initio</i>Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine 2014 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Elisa Molinari
Carlo Andrea Rozzi
+ PDF Chat Concavity Effects on the Optical Properties of Aromatic Hydrocarbons 2013 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
A. Fasolino
Elisa Molinari
+ PDF Chat Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions 2012 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
Elisa Molinari
+ PDF Chat Optical Excitations and Field Enhancement in Short Graphene Nanoribbons 2012 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Enrico Benassi
Marília Caldas
Stefano Corni
Elisa Molinari
+ PDF Chat Optical Properties and Charge-Transfer Excitations in Edge-Functionalized All-Graphene Nanojunctions 2011 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
Elisa Molinari
+ PDF Chat Designing All-Graphene Nanojunctions by Covalent Functionalization 2011 Caterina Cocchi
Alice Ruini
Deborah Prezzi
Marília Caldas
Elisa Molinari
Common Coauthors
Commonly Cited References
Action Title Year Authors # of times referenced
+ PDF Chat Optical spectra from molecules to crystals: Insight from many-body perturbation theory 2015 Caterina Cocchi
Claudia Draxl
17
+ PDF Chat Optical Properties and Charge-Transfer Excitations in Edge-Functionalized All-Graphene Nanojunctions 2011 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
Elisa Molinari
15
+ PDF Chat Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers 2015 Caterina Cocchi
Claudia Draxl
13
+ PDF Chat Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of the Donor Conjugation Length 2019 Ana M. Valencia
Caterina Cocchi
12
+ PDF Chat Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions 2012 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Marília Caldas
Elisa Molinari
11
+ PDF Chat Accurate all-electron<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>G</mml:mi><mml:mn>0</mml:mn></mml:msub><mml:msub><mml:mi>W</mml:mi><mml:mn>0</mml:mn></mml:msub></mml:mrow></mml:math>quasiparticle energies employing the full-potential augmented plane-wave method 2016 Dmitrii Nabok
Andris Guļāns
Claudia Draxl
10
+ PDF Chat Quantum modeling of ultrafast photoinduced charge separation 2017 Carlo Andrea Rozzi
Filippo Troiani
Ivano Tavernelli
9
+ PDF Chat Solid State Effects on Exciton States and Optical Properties of PPV 2002 Alice Ruini
Marília Caldas
Giovanni Bussi
Elisa Molinari
9
+ PDF Chat Designing All-Graphene Nanojunctions by Covalent Functionalization 2011 Caterina Cocchi
Alice Ruini
Deborah Prezzi
Marília Caldas
Elisa Molinari
9
+ PDF Chat Separable dual-space Gaussian pseudopotentials 1996 Stefan Goedecker
M. P. Teter
Jürg Hutter
8
+ PDF Chat Enhanced Light–Matter Interaction in Graphene/h-BN van der Waals Heterostructures 2017 Wahib Aggoune
Caterina Cocchi
Dmitrii Nabok
Karim Rezouali
M.A. Belkhir
Claudia Draxl
8
+ PDF Chat LayerOptics: Microscopic modeling of optical coefficients in layered materials 2016 Christian Vorwerk
Caterina Cocchi
Claudia Draxl
8
+ PDF Chat Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems 2015 Xavier Andrade
David A. Strubbe
Umberto De Giovannini
Ask Hjorth Larsen
Micael J. T. Oliveira
Joseba Alberdi‐Rodriguez
Alejandro Varas
Ίρις Θεοφίλου
N. Helbig
Matthieu J. Verstraete
7
+ PDF Chat Simulating Pump–Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time‐Dependent Density Functional Theory 2013 Umberto De Giovannini
Gustavo Brunetto
Alberto Castro
Jessica Walkenhorst
Ángel Rubio
7
+ PDF Chat CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations 2020 Thomas D. Kühne
Marcella Iannuzzi
Mauro Del Ben
Vladimir V. Rybkin
Patrick Seewald
Frederick Stein
Teodoro Laino
Rustam Z. Khaliullin
Ole Schütt
Florian Schiffmann
7
+ PDF Chat Relativistic separable dual-space Gaussian pseudopotentials from H to Rn 1998 C. Hartwigsen
Stefan Goedecker
Jürg Hutter
7
+ PDF Chat Atomic signatures of local environment from core-level spectroscopy in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>β</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi>Ga</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> 2016 Caterina Cocchi
Hannes Zschiesche
Dmitrii Nabok
Anna Mogilatenko
M. Albrecht
Zbigniew Galazka
Holm Kirmse
Claudia Draxl
Christoph T. Koch
7
+ PDF Chat Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers 2017 Caterina Cocchi
Claudia Draxl
7
+ PDF Chat <i>Ab Initio</i>Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine 2014 Caterina Cocchi
Deborah Prezzi
Alice Ruini
Elisa Molinari
Carlo Andrea Rozzi
7
+ PDF Chat Structural and excited-state properties of oligoacene crystals from first principles 2016 Tonatiuh Rangel
Kristian Berland
Sahar Sharifzadeh
Florian Brown-Altvater
Kyuho Lee
Per Hyldgaard
Leeor Kronik
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