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Caterina Cocchi

Identifiers

  • name variant Caterina Cocchi 0.60 · backfill

Papers (84)

  1. Interface Symmetry and Electrostatic Stabilization of Strain-Resilient Janus Heterobilayers for Flexible Piezotronics cond-mat.mtrl-sci · 2026 · author #4
  2. A Practical Guide for Diagnosing Imaginary Phonon Modes in Metal--Organic Frameworks: The Case of MOF-5 cond-mat.mtrl-sci · 2026 · author #2
  3. Highly Efficient Exciton Modulation in MoSe$_2$/PdSe$_2$ Heterostructures cond-mat.mes-hall · 2026 · author #14
  4. AIM2DAT: A Python-based Automated Ab Initio Material Modeling and Data Analysis Toolkit cond-mat.mtrl-sci · 2026 · author #4
  5. Relativistic Effects on Photoabsorption Cross Sections of Highly Charged Ions cond-mat.other · 2026 · author #2
  6. Kubo-Martin-Schwinger-Gated Imaginary-Time Reconstruction of Time-Resolved Electronic Circular Dichroism in Organic Excitonic Aggregates cond-mat.other · 2026 · author #2
  7. Quantitative Photoemission Predictions of Semiconducting Photocathodes from Many-Body Ab Initio Theory cond-mat.mtrl-sci · 2026 · author #7
  8. Janus MoSSe/WSSe Heterobilayers as Selective Photocatalysts for Water Splitting cond-mat.mtrl-sci · 2026 · author #3
  9. Unveiling the Role of Solvents in DBTTF:HATCN Ternary Cocrystals cond-mat.mtrl-sci · 2025 · author #9
  10. Excited State Absorption Drives Low-Energy Optical Limiting in Oligothiophenes physics.optics · 2025 · author #3
  11. Ab initio X-ray Near-Edge Spectroscopy of Sodium-Based Multi-Alkali Antimonides cond-mat.mtrl-sci · 2025 · author #3
  12. Ultrafast Photoexcitation of Semiconducting Photocathode Materials cond-mat.mtrl-sci · 2025 · author #3
  13. Electronic and optical excitations of K-Sb and Na-Sb crystals cond-mat.mtrl-sci · 2025 · author #2
  14. Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and its Derivatives cond-mat.mtrl-sci · 2025 · author #4
  15. Electronic and optical properties of computationally predicted Na-K-Sb crystals cond-mat.mtrl-sci · 2024 · author #3
  16. Thermodynamic stability and vibrational properties of multi-alkali antimonides cond-mat.mtrl-sci · 2024 · author #3
  17. First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers cond-mat.mtrl-sci · 2024 · author #3
  18. Electronic properties of MoSe$_2$ nanowrinkles cond-mat.mtrl-sci · 2024 · author #3
  19. Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization cond-mat.mtrl-sci · 2024 · author #4
  20. Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks cond-mat.mtrl-sci · 2023 · author #4
  21. Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface cond-mat.mtrl-sci · 2023 · author #4
  22. Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers cond-mat.mtrl-sci · 2023 · author #4
  23. The Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks cond-mat.mtrl-sci · 2023 · author #7
  24. Interlayer vibrational hybrid normal mode enabling molecular chiral phonons cond-mat.mtrl-sci · 2023 · author #5
  25. Two-dimensional electronic spectroscopy from first principles cond-mat.mes-hall · 2023 · author #5
  26. X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory cond-mat.mtrl-sci · 2023 · author #2
  27. Electronic Structure and Optical Properties of Tin Iodide Solution Complexes cond-mat.mtrl-sci · 2023 · author #3
  28. Vibronic Couplings and Temperature Effects in the Ultrafast Dynamics of a Charge-Transfer Complex cond-mat.mtrl-sci · 2023 · author #4
  29. 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
  30. Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs cond-mat.mtrl-sci · 2022 · author #6
  31. Modeling the electronic structure of organic materials: A solid-state physicist's perspective cond-mat.mtrl-sci · 2022 · author #1
  32. Stability and electronic properties of CsK$_2$Sb surface facets cond-mat.mtrl-sci · 2022 · author #3
  33. 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
  34. Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction cond-mat.mtrl-sci · 2022 · author #3
  35. Ab initio simulation of laser-induced electronic and vibrational coherence cond-mat.mtrl-sci · 2021 · author #3
  36. 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
  37. 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
  38. First-principles analysis of the optical properties of lead halide perovskite solution precursors cond-mat.mtrl-sci · 2021 · author #4
  39. Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and its Cation physics.chem-ph · 2021 · author #3
  40. Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules cond-mat.mtrl-sci · 2021 · author #2
  41. Formation of Near-IR Excitons in Low Dimensional CuSbS$_2$ cond-mat.mes-hall · 2021 · author #2
  42. Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory cond-mat.mtrl-sci · 2021 · author #4
  43. Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals cond-mat.mtrl-sci · 2021 · author #3
  44. 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
  45. LayerPCM: An implicit scheme for dielectric screening from layered substrates cond-mat.mtrl-sci · 2021 · author #4
  46. Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping cond-mat.mtrl-sci · 2021 · author #3
  47. 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
  48. Electronic and Optical Properties of Protonated Triazine Derivatives cond-mat.mtrl-sci · 2020 · author #3
  49. Optical Fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions cond-mat.mtrl-sci · 2020 · author #5
  50. In situ functionalization of graphene cond-mat.mes-hall · 2020 · author #8
  51. Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from \textit{Ab initio} Many-Body Theory cond-mat.mtrl-sci · 2020 · author #3
  52. MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region cond-mat.mtrl-sci · 2020 · author #2
  53. Nonlinear Light Absorption in Many-Electron Systems Excited by an Instantaneous Electric Field: A Non-Perturbative Approach physics.chem-ph · 2020 · author #2
  54. Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures cond-mat.mtrl-sci · 2020 · author #2
  55. Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface cond-mat.mtrl-sci · 2020 · author #6
  56. Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules cond-mat.mtrl-sci · 2020 · author #5
  57. Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of Donor Conjugation Length cond-mat.mtrl-sci · 2019 · author #2
  58. Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates cond-mat.mtrl-sci · 2019 · author #2
  59. Electronic and optical excitations of two-dimensional ZrS$_2$ and HfS$_2$ and their heterostructure cond-mat.mtrl-sci · 2019 · author #2
  60. Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the $\texttt{exciting}$ code cond-mat.mtrl-sci · 2019 · author #3
  61. Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface cond-mat.mtrl-sci · 2019 · author #5
  62. 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
  63. Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES cond-mat.mtrl-sci · 2018 · author #7
  64. Electronic and optical excitations at the pyridine/ZnO(10$\overline{1}$0) hybrid interface cond-mat.mtrl-sci · 2018 · author #4
  65. Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride cond-mat.mtrl-sci · 2018 · author #2
  66. Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra cond-mat.mtrl-sci · 2018 · author #2
  67. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites cond-mat.mtrl-sci · 2018 · author #3
  68. Exciting core-level spectroscopy cond-mat.mtrl-sci · 2017 · author #2
  69. Understanding effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers cond-mat.mtrl-sci · 2017 · author #1
  70. Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures cond-mat.mtrl-sci · 2017 · author #2
  71. Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions cond-mat.mtrl-sci · 2016 · author #1
  72. 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
  73. Atomic signatures of local environment from core-level spectroscopy in $\beta$-Ga$_2$O$_3$ cond-mat.mtrl-sci · 2016 · author #1
  74. Polymorphism in $\alpha$-sexithiophene crystals: Relative stability and transition path cond-mat.mtrl-sci · 2016 · author #2
  75. LayerOptics: Microscopic modeling of optical coefficients in layered materials cond-mat.mtrl-sci · 2015 · author #2
  76. Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers cond-mat.mes-hall · 2015 · author #1
  77. Optical spectra from molecules to crystals: Insight from many-body perturbation theory cond-mat.mtrl-sci · 2015 · author #1
  78. Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons cond-mat.soft · 2014 · author #1
  79. Ab initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine cond-mat.mtrl-sci · 2014 · author #1
  80. Concavity Effects on the Optical Properties of Aromatic Hydrocarbons cond-mat.mes-hall · 2013 · author #1
  81. Electronics and Optics of Graphene Nanoflakes: Edge Functionalization and Structural Distortions cond-mat.mes-hall · 2012 · author #1
  82. Designing all-graphene nanojunctions by covalent functionalization cond-mat.mtrl-sci · 2012 · author #1
  83. Optical Excitations and Field Enhancement in Short Graphene Nanoribbons cond-mat.mtrl-sci · 2012 · author #1
  84. Optical properties and charge-transfer excitations in edge-functionalized all-graphene nanojunctions cond-mat.mtrl-sci · 2011 · author #1

Mentions

  • 2509.09998 #9 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2507.21578 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2505.05860 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
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  • 2402.09785 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2402.07733 #4 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2304.12855 #2 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2311.05173 #4 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2311.01776 #4 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2308.09062 #5 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2303.03905 #4 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2309.11163 #4 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2309.04252 #7 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2308.16779 #5 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2303.08635 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2212.08556 #6 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2208.09168 #1 · arxiv_oai · confidence 0.70 Caterina Cocchi
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  • 2208.05843 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
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  • 2004.06973 #2 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2012.08440 #5 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2103.03581 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2012.11268 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2009.12808 #8 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2004.10870 #2 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2004.06031 #2 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2003.08669 #5 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2007.02667 #3 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2003.12325 #6 · arxiv_oai · confidence 0.70 Caterina Cocchi
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  • 1510.03306 #2 · backfill · confidence 0.70 Caterina Cocchi
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  • 2605.13211 #14 · arxiv_oai · confidence 0.70 Caterina Cocchi
  • 2603.29850 #2 · arxiv_oai · confidence 0.70 Caterina Cocchi

Frequent Coauthors