Identifiers
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name variant
Caterina Cocchi
0.60 · backfill
Papers (84)
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Interface Symmetry and Electrostatic Stabilization of Strain-Resilient Janus Heterobilayers for Flexible Piezotronics
cond-mat.mtrl-sci · 2026 · author #4
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A Practical Guide for Diagnosing Imaginary Phonon Modes in Metal--Organic Frameworks: The Case of MOF-5
cond-mat.mtrl-sci · 2026 · author #2
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Highly Efficient Exciton Modulation in MoSe$_2$/PdSe$_2$ Heterostructures
cond-mat.mes-hall · 2026 · author #14
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AIM2DAT: A Python-based Automated Ab Initio Material Modeling and Data Analysis Toolkit
cond-mat.mtrl-sci · 2026 · author #4
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Relativistic Effects on Photoabsorption Cross Sections of Highly Charged Ions
cond-mat.other · 2026 · author #2
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Kubo-Martin-Schwinger-Gated Imaginary-Time Reconstruction of Time-Resolved Electronic Circular Dichroism in Organic Excitonic Aggregates
cond-mat.other · 2026 · author #2
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Quantitative Photoemission Predictions of Semiconducting Photocathodes from Many-Body Ab Initio Theory
cond-mat.mtrl-sci · 2026 · author #7
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Janus MoSSe/WSSe Heterobilayers as Selective Photocatalysts for Water Splitting
cond-mat.mtrl-sci · 2026 · author #3
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Unveiling the Role of Solvents in DBTTF:HATCN Ternary Cocrystals
cond-mat.mtrl-sci · 2025 · author #9
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Excited State Absorption Drives Low-Energy Optical Limiting in Oligothiophenes
physics.optics · 2025 · author #3
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Ab initio X-ray Near-Edge Spectroscopy of Sodium-Based Multi-Alkali Antimonides
cond-mat.mtrl-sci · 2025 · author #3
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Ultrafast Photoexcitation of Semiconducting Photocathode Materials
cond-mat.mtrl-sci · 2025 · author #3
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Electronic and optical excitations of K-Sb and Na-Sb crystals
cond-mat.mtrl-sci · 2025 · author #2
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Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and its Derivatives
cond-mat.mtrl-sci · 2025 · author #4
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Electronic and optical properties of computationally predicted Na-K-Sb crystals
cond-mat.mtrl-sci · 2024 · author #3
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Thermodynamic stability and vibrational properties of multi-alkali antimonides
cond-mat.mtrl-sci · 2024 · author #3
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First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers
cond-mat.mtrl-sci · 2024 · author #3
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Electronic properties of MoSe$_2$ nanowrinkles
cond-mat.mtrl-sci · 2024 · author #3
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Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization
cond-mat.mtrl-sci · 2024 · author #4
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Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks
cond-mat.mtrl-sci · 2023 · author #4
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Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface
cond-mat.mtrl-sci · 2023 · author #4
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Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers
cond-mat.mtrl-sci · 2023 · author #4
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The Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks
cond-mat.mtrl-sci · 2023 · author #7
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Interlayer vibrational hybrid normal mode enabling molecular chiral phonons
cond-mat.mtrl-sci · 2023 · author #5
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Two-dimensional electronic spectroscopy from first principles
cond-mat.mes-hall · 2023 · author #5
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X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory
cond-mat.mtrl-sci · 2023 · author #2
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Electronic Structure and Optical Properties of Tin Iodide Solution Complexes
cond-mat.mtrl-sci · 2023 · author #3
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Vibronic Couplings and Temperature Effects in the Ultrafast Dynamics of a Charge-Transfer Complex
cond-mat.mtrl-sci · 2023 · author #4
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Electronic structure of low-dimensional inorganic/organic interfaces: Hybrid density functional theory, $G_0W_0$, and electrostatic models
cond-mat.mtrl-sci · 2023 · author #2
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Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs
cond-mat.mtrl-sci · 2022 · author #6
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Modeling the electronic structure of organic materials: A solid-state physicist's perspective
cond-mat.mtrl-sci · 2022 · author #1
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Stability and electronic properties of CsK$_2$Sb surface facets
cond-mat.mtrl-sci · 2022 · author #3
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Donors, Acceptors, and a Bit of Aromatics: Electronic Interactions of Molecular Adsorbates on hBN and MoS$_2$ Monolayers
cond-mat.mtrl-sci · 2022 · author #5
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Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction
cond-mat.mtrl-sci · 2022 · author #3
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Ab initio simulation of laser-induced electronic and vibrational coherence
cond-mat.mtrl-sci · 2021 · author #3
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Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation
cond-mat.mtrl-sci · 2021 · author #2
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Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling
cond-mat.mtrl-sci · 2021 · author #5
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First-principles analysis of the optical properties of lead halide perovskite solution precursors
cond-mat.mtrl-sci · 2021 · author #4
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Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and its Cation
physics.chem-ph · 2021 · author #3
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Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules
cond-mat.mtrl-sci · 2021 · author #2
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Formation of Near-IR Excitons in Low Dimensional CuSbS$_2$
cond-mat.mes-hall · 2021 · author #2
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Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory
cond-mat.mtrl-sci · 2021 · author #4
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Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals
cond-mat.mtrl-sci · 2021 · author #3
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Electronic structure and optical properties of Na$_2$KSb and NaK$_2$Sb from first-principles many-body theory
cond-mat.mtrl-sci · 2021 · author #3
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LayerPCM: An implicit scheme for dielectric screening from layered substrates
cond-mat.mtrl-sci · 2021 · author #4
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Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping
cond-mat.mtrl-sci · 2021 · author #3
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Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals
cond-mat.mtrl-sci · 2021 · author #2
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Electronic and Optical Properties of Protonated Triazine Derivatives
cond-mat.mtrl-sci · 2020 · author #3
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Optical Fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions
cond-mat.mtrl-sci · 2020 · author #5
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In situ functionalization of graphene
cond-mat.mes-hall · 2020 · author #8
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Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from \textit{Ab initio} Many-Body Theory
cond-mat.mtrl-sci · 2020 · author #3
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MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region
cond-mat.mtrl-sci · 2020 · author #2
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Nonlinear Light Absorption in Many-Electron Systems Excited by an Instantaneous Electric Field: A Non-Perturbative Approach
physics.chem-ph · 2020 · author #2
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Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures
cond-mat.mtrl-sci · 2020 · author #2
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Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
cond-mat.mtrl-sci · 2020 · author #6
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Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules
cond-mat.mtrl-sci · 2020 · author #5
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Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of Donor Conjugation Length
cond-mat.mtrl-sci · 2019 · author #2
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Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates
cond-mat.mtrl-sci · 2019 · author #2
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Electronic and optical excitations of two-dimensional ZrS$_2$ and HfS$_2$ and their heterostructure
cond-mat.mtrl-sci · 2019 · author #2
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Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code
cond-mat.mtrl-sci · 2019 · author #3
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Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface
cond-mat.mtrl-sci · 2019 · author #5
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First-principles many-body study of the electronic and optical properties of CsK2Sb, a semiconducting material for ultra-bright electron sources
cond-mat.mtrl-sci · 2018 · author #1
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Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES
cond-mat.mtrl-sci · 2018 · author #7
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Electronic and optical excitations at the pyridine/ZnO(10$\overline{1}$0) hybrid interface
cond-mat.mtrl-sci · 2018 · author #4
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Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride
cond-mat.mtrl-sci · 2018 · author #2
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Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra
cond-mat.mtrl-sci · 2018 · author #2
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Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites
cond-mat.mtrl-sci · 2018 · author #3
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Exciting core-level spectroscopy
cond-mat.mtrl-sci · 2017 · author #2
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Understanding effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers
cond-mat.mtrl-sci · 2017 · author #1
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Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures
cond-mat.mtrl-sci · 2017 · author #2
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Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions
cond-mat.mtrl-sci · 2016 · author #1
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Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles
cond-mat.mtrl-sci · 2016 · author #2
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Atomic signatures of local environment from core-level spectroscopy in $\beta$-Ga$_2$O$_3$
cond-mat.mtrl-sci · 2016 · author #1
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Polymorphism in $\alpha$-sexithiophene crystals: Relative stability and transition path
cond-mat.mtrl-sci · 2016 · author #2
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LayerOptics: Microscopic modeling of optical coefficients in layered materials
cond-mat.mtrl-sci · 2015 · author #2
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Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers
cond-mat.mes-hall · 2015 · author #1
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Optical spectra from molecules to crystals: Insight from many-body perturbation theory
cond-mat.mtrl-sci · 2015 · author #1
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Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons
cond-mat.soft · 2014 · author #1
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Ab initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine
cond-mat.mtrl-sci · 2014 · author #1
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Concavity Effects on the Optical Properties of Aromatic Hydrocarbons
cond-mat.mes-hall · 2013 · author #1
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Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions
cond-mat.mes-hall · 2012 · author #1
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Designing all-graphene nanojunctions by covalent functionalization
cond-mat.mtrl-sci · 2012 · author #1
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Optical Excitations and Field Enhancement in Short Graphene Nanoribbons
cond-mat.mtrl-sci · 2012 · author #1
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Optical properties and charge-transfer excitations in edge-functionalized all-graphene nanojunctions
cond-mat.mtrl-sci · 2011 · author #1
Mentions
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2509.09998
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