PECCHIA, ALESSANDRO
PECCHIA, ALESSANDRO
Istituto per lo Studio dei Materiali Nanostrutturati - ISMN
Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys
2024 Phan, A. -L.; Pecchia, A.; Di Vito, A.; Auf der Maur, M.
Empirical Tight-Binding Parameterizations for Accurate Heterostructure and Alloy Calculations
2024 Phan, A. -L.; Soccodato, D.; Di Vito, A.; Pecchia, A.; Der Maur, M. A.
Machine learned environment-dependent corrections for a spds∗ empirical tight-binding basis
2024 Soccodato, D.; Penazzi, G.; Pecchia, A.; Phan, A. -L.; Auf der Maur, M.
Reinforcement of Polylactic Acid / Poly Butylene Adipate-co-Terephthalate blends by starch addition: A coupled computational and experimental study
2024 Caputo, Paolino; Calandra, Pietro; Pecchia, Alessandro; Tirri, Bernardino; Mercuri, Francesco; Lo , ; Celso, Fabrizio; Testa, Flaviano; Loise, Valeria.; Oliviero , ; Rossi, Cesare
DFTBephy: A DFTB-based approach for electron–phonon coupling calculations
2023 Croy, A.; Unsal, E.; Biele, R.; Pecchia, A.
Glass-like Transport Dominates Ultralow Lattice Thermal Conductivity in Modular Crystalline Bi4O4SeCl2
2023 Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T.
Impact of Local Composition on the Emission Spectra of InGaN Quantum-Dot LEDs
2023 Barettin, D.; Sakharov, A. V.; Tsatsulnikov, A. F.; Nikolaev, A. E.; Pecchia, A.; Auf der Maur, M.; Karpov, S. Y.; Cherkashin, N.
Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics
2023 Tong, Z.; Zhang, Y.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitrica, T.; Frauenheim, T.
Anisotropic Phononic and Electronic Thermal Transport in BeN4
2022 Tong, Z.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitrica, T.; Frauenheim, T.
Erratum: DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (Journal of Chemical Physics (2020) 152 (124101) DOI: 10.1063/1.5143190)
2022 Hourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; Van Der Heide, T.; Hermann, J.; Irle, S.; Jakowski, J.; Kranz, J. J.; Kohler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T.
Four-phonon and electron-phonon scattering effects on thermal properties in two-dimensional 2H-TaS2
2022 Zhang, Y.; Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T.
Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity
2022 Tong, Z.; Pecchia, A.; Yam, C.; Bao, H.; Dumitrica, T.; Frauenheim, T.
Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene
2022 Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T.
Electromechanical field effects in InAs/GaAs quantum dots based on continuum k?{\textperiodcentered} p? and atomistic tight-binding methods
2021 Barettin, Daniele; Pecchia, Alessandro; der Maur, Matthias Auf; Di Carlo, Aldo; Lassen, Benny; Willatzen, Morten
Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability
2021 Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T.
Role of Phase Nanosegregation in the Photoluminescence Spectra of Halide Perovskites
2021 Di Vito, A.; Pecchia, A.; Auf Der Maur, M.; Campanari, V.; Martelli, F.; Di Carlo, A.
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
2020 Hourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitric, T. A.; Dominguez, A.; Ehlert, S.; Elstner, M.; Van Der Heide, T.; Hermann, J.; Irle, S.; Kranz, J. J.; Kohler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; A&, Tild; Ezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T.
Nonlinear Work Function Tuning of Lead-Halide Perovskites by MXenes with Mixed Terminations
2020 Di Vito, Alessia; Pecchia, Alessandro; Auf der Maur, Matthias; DI CARLO, Aldo
Simulating random alloy effects in III-nitride light emitting diodes
2020 Di Vito, A; Pecchia, A; Di Carlo, A; Auf Der Maur, M
Impact of Compositional Nonuniformity in (In,Ga) N -Based Light-Emitting Diodes
2019 Di Vito, A; Pecchia, A; Di Carlo, A; Auf Der Maur, M
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Empirical tight-binding method for large-supercell simulations of disordered semiconductor alloys | 1-gen-2024 | Phan, A. -L.; Pecchia, A.; Di Vito, A.; Auf der Maur, M. | |
| Empirical Tight-Binding Parameterizations for Accurate Heterostructure and Alloy Calculations | 1-gen-2024 | Phan, A. -L.; Soccodato, D.; Di Vito, A.; Pecchia, A.; Der Maur, M. A. | |
| Machine learned environment-dependent corrections for a spds∗ empirical tight-binding basis | 1-gen-2024 | Soccodato, D.; Penazzi, G.; Pecchia, A.; Phan, A. -L.; Auf der Maur, M. | |
| Reinforcement of Polylactic Acid / Poly Butylene Adipate-co-Terephthalate blends by starch addition: A coupled computational and experimental study | 1-gen-2024 | Caputo, Paolino; Calandra, Pietro; Pecchia, Alessandro; Tirri, Bernardino; Mercuri, Francesco; Lo , ; Celso, Fabrizio; Testa, Flaviano; Loise, Valeria.; Oliviero , ; Rossi, Cesare | |
| DFTBephy: A DFTB-based approach for electron–phonon coupling calculations | 1-gen-2023 | Croy, A.; Unsal, E.; Biele, R.; Pecchia, A. | |
| Glass-like Transport Dominates Ultralow Lattice Thermal Conductivity in Modular Crystalline Bi4O4SeCl2 | 1-gen-2023 | Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T. | |
| Impact of Local Composition on the Emission Spectra of InGaN Quantum-Dot LEDs | 1-gen-2023 | Barettin, D.; Sakharov, A. V.; Tsatsulnikov, A. F.; Nikolaev, A. E.; Pecchia, A.; Auf der Maur, M.; Karpov, S. Y.; Cherkashin, N. | |
| Predicting the Lattice Thermal Conductivity in Nitride Perovskite LaWN3 from ab initio Lattice Dynamics | 1-gen-2023 | Tong, Z.; Zhang, Y.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitrica, T.; Frauenheim, T. | |
| Anisotropic Phononic and Electronic Thermal Transport in BeN4 | 1-gen-2022 | Tong, Z.; Pecchia, A.; Yam, C.; Zhou, L.; Dumitrica, T.; Frauenheim, T. | |
| Erratum: DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (Journal of Chemical Physics (2020) 152 (124101) DOI: 10.1063/1.5143190) | 1-gen-2022 | Hourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; Van Der Heide, T.; Hermann, J.; Irle, S.; Jakowski, J.; Kranz, J. J.; Kohler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T. | |
| Four-phonon and electron-phonon scattering effects on thermal properties in two-dimensional 2H-TaS2 | 1-gen-2022 | Zhang, Y.; Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T. | |
| Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity | 1-gen-2022 | Tong, Z.; Pecchia, A.; Yam, C.; Bao, H.; Dumitrica, T.; Frauenheim, T. | |
| Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene | 1-gen-2022 | Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T. | |
| Electromechanical field effects in InAs/GaAs quantum dots based on continuum k?{\textperiodcentered} p? and atomistic tight-binding methods | 1-gen-2021 | Barettin, Daniele; Pecchia, Alessandro; der Maur, Matthias Auf; Di Carlo, Aldo; Lassen, Benny; Willatzen, Morten | |
| Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability | 1-gen-2021 | Tong, Z.; Pecchia, A.; Yam, C.; Dumitrica, T.; Frauenheim, T. | |
| Role of Phase Nanosegregation in the Photoluminescence Spectra of Halide Perovskites | 1-gen-2021 | Di Vito, A.; Pecchia, A.; Auf Der Maur, M.; Campanari, V.; Martelli, F.; Di Carlo, A. | |
| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations | 1-gen-2020 | Hourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitric, T. A.; Dominguez, A.; Ehlert, S.; Elstner, M.; Van Der Heide, T.; Hermann, J.; Irle, S.; Kranz, J. J.; Kohler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; A&, Tild; Ezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T. | |
| Nonlinear Work Function Tuning of Lead-Halide Perovskites by MXenes with Mixed Terminations | 1-gen-2020 | Di Vito, Alessia; Pecchia, Alessandro; Auf der Maur, Matthias; DI CARLO, Aldo | |
| Simulating random alloy effects in III-nitride light emitting diodes | 1-gen-2020 | Di Vito, A; Pecchia, A; Di Carlo, A; Auf Der Maur, M | |
| Impact of Compositional Nonuniformity in (In,Ga) N -Based Light-Emitting Diodes | 1-gen-2019 | Di Vito, A; Pecchia, A; Di Carlo, A; Auf Der Maur, M |