CERESOLI, DAVIDE
CERESOLI, DAVIDE
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC
Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles
2024 Giacomazzi, L; Martin Samos Colomer, L; Richard, N; Ceresoli, D; Alessi, A
A computational modelling of carbon layer formation on treeing branches
2023 Buccella, G; Villa, A; Ceresoli, D; Schurch, R; Barbieri, L; Malgesini, R; Palladini, D
Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt)
2023 Adebambo Paul, O; Adebayo Gboyega, A; Guerra, Roberto; Ceresoli, Davide
Elucidating the superexchange mechanisms in magnetic coordination polymer [Co(HCOO)2 (H2 O)2 ]? through chemical bonding analysis
2023 Grønbech Thomas Bjørn, Egede; Krause, Lennard; Ceresoli, Davide; Iversen Bo, Brummerstedt
Emerging disorder in Gd2 (Ti1-x Zrx )2 O7 pyrochlores matrices for radioactive waste disposal: symmetry lowering versus defect clustering
2023 di Biase, Armando; Castellano, Carlo; Confalonieri, Giorgia; Fumagalli, Patrizia; Tumiati, Simone; Ceresoli, Davide; Scavini, Marco
Investigation of ferroelectric Ba1-x Cax Zry Ti1-y O3 single crystal by in situ temperature-dependent x-ray diffraction and first-principles calculations
2023 Gadelmawla, Ahmed; Spreafico, Samuele; Heinemann Frank, W; Urushihara, Daisuke; Liu, Donglin; Li, Qiang; Yan, Qingfeng; Ceresoli, Davide; Kimura, Koji; Hayashi, Kouichi; Meyer, Bernd; Webber Kyle, G
Seven-Coordinated High-Pressure Phase of CrSb2 and Experimental Equation of State of MSb2 (M = Cr, Fe, Ru, Os)
2023 Ehrenreichpetersen, Emma; Hansen Mads, F; Jeanneau, Justin; Ceresoli, Davide; Menescardi, Francesca; Ottesen, Martin; Prakapenka, Vitali; Tkachev Sergey, N; Bremholm, Martin
Advancing Near-Infrared Phosphorescence with Heteroleptic Iridium Complexes Bearing a Single Emitting Ligand: Properties and Organic Light-Emitting Diode Applications
2022 Penconi, Marta; Kajjam Aravind, Babu; Jung, Moonchul; Cazzaniga, Marco; Baldoli, Clara; Ceresoli, Davide; Thompson Mark, E; Bossi, Alberto
Anharmonic motion and aspherical nuclear probability density functions in cesium halides
2022 Gronbech T.B.E.; Tolborg K.; Ceresoli D.; Iversen B.B.
GIPAW Pseudopotentials of d Elements for Solid-State NMR
2022 Tantardini, C; Kvashnin, Ag; Ceresoli, D
High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3 - Discovery of a Post-Perovskite
2022 Kronbo Camilla, Hjort; Ehrenreichpetersen, Emma; Ottesen, Martin; Menescardi, Francesca; Ceresoli, Davide; Bremholm, Martin
On the Triggering of Partial Discharges in Polyethylene: Chemical and Electronic Characterization
2022 Buccella, Giacomo; Ceresoli, Davide; Villa, Andrea; Barbieri, Luca; Malgesini, Roberto
Structure and Surface Relaxation of CeO2 Nanoparticles Unveiled by Combining Real and Reciprocal Space Total Scattering Analysis
2022 Scavini M.; Bertolotti F.; Mlloja J.; Umbri F.; Bosc A.; Cappelli S.; Checchia S.; Oliva C.; Fumagalli P.; Ceresoli D.; Longhi M.; Guagliardi A.; Coduri M.
About the deterioration of polyethylene exposed to plasma discharges: A comparison between two models
2021 Buccella, Giacomo; Villa, Andrea; Ceresoli, Davide; Barbieri, Luca; Malgesini, Roberto; LeonGarzon, Andres R.
Advanced modeling of materials with PAOFLOW 2.0: New features and software design
2021 Cerasoli Frank, T; Supka Andrew, R; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sawiska, Jagoda; Curtarolo, Stefano; Fornari, Marco; Ceresoli, Davide; Buongiorno Nardelli, Marco
Comparative analysis of dft+u, acbn0, and hybrid functionals on the spin density of ytio3 and srruo3
2021 Menescardi, Francesca; Ceresoli, Davide
Electronic structure of defected polyethylene for Schottky emission
2021 Buccella, Giacomo; Ceresoli, Davide; Villa, Andrea; Barbieri, Luca; Malgesini, Roberto
eQE 2.0: Subsystem DFT beyond GGA functionals
2021 Mi, Wenhui; Shao, Xuecheng; Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele
First-Principles Study on Electron-Induced Excitations of Atomic Layer Deposition Precursors: Inelastic Electron Wave Packet Scattering with...
2021 Yao, Xiaolong; Lee, Yeonghun; Ceresoli, Davide; Cho, Kyeongjae
First-Principles Study on the Crystalline Ga4Sb6Te3 Phase Change Compound
2021 Baratella, ; Dario, ; Dragoni, ; Daniele, ; Ceresoli, Davide; Ceresoli, Davide; Bernasconi, ; Marco,
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles | 1-gen-2024 | Giacomazzi, L; Martin Samos Colomer, L; Richard, N; Ceresoli, D; Alessi, A | |
| A computational modelling of carbon layer formation on treeing branches | 1-gen-2023 | Buccella, G; Villa, A; Ceresoli, D; Schurch, R; Barbieri, L; Malgesini, R; Palladini, D | |
| Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt) | 1-gen-2023 | Adebambo Paul, O; Adebayo Gboyega, A; Guerra, Roberto; Ceresoli, Davide | |
| Elucidating the superexchange mechanisms in magnetic coordination polymer [Co(HCOO)<inf>2</inf>(H<inf>2</inf>O)<inf>2</inf>]<inf>?</inf> through chemical bonding analysis | 1-gen-2023 | Grønbech Thomas Bjørn, Egede; Krause, Lennard; Ceresoli, Davide; Iversen Bo, Brummerstedt | |
| Emerging disorder in Gd<inf>2</inf>(Ti<inf>1-x</inf>Zr<inf>x</inf>)<inf>2</inf>O<inf>7</inf> pyrochlores matrices for radioactive waste disposal: symmetry lowering versus defect clustering | 1-gen-2023 | di Biase, Armando; Castellano, Carlo; Confalonieri, Giorgia; Fumagalli, Patrizia; Tumiati, Simone; Ceresoli, Davide; Scavini, Marco | |
| Investigation of ferroelectric Ba<inf>1-x</inf>Ca<inf>x</inf>Zr<inf>y</inf>Ti<inf>1-y</inf>O<inf>3</inf> single crystal by in situ temperature-dependent x-ray diffraction and first-principles calculations | 1-gen-2023 | Gadelmawla, Ahmed; Spreafico, Samuele; Heinemann Frank, W; Urushihara, Daisuke; Liu, Donglin; Li, Qiang; Yan, Qingfeng; Ceresoli, Davide; Kimura, Koji; Hayashi, Kouichi; Meyer, Bernd; Webber Kyle, G | |
| Seven-Coordinated High-Pressure Phase of CrSb<inf>2</inf> and Experimental Equation of State of MSb<inf>2</inf> (M = Cr, Fe, Ru, Os) | 1-gen-2023 | Ehrenreichpetersen, Emma; Hansen Mads, F; Jeanneau, Justin; Ceresoli, Davide; Menescardi, Francesca; Ottesen, Martin; Prakapenka, Vitali; Tkachev Sergey, N; Bremholm, Martin | |
| Advancing Near-Infrared Phosphorescence with Heteroleptic Iridium Complexes Bearing a Single Emitting Ligand: Properties and Organic Light-Emitting Diode Applications | 1-gen-2022 | Penconi, Marta; Kajjam Aravind, Babu; Jung, Moonchul; Cazzaniga, Marco; Baldoli, Clara; Ceresoli, Davide; Thompson Mark, E; Bossi, Alberto | |
| Anharmonic motion and aspherical nuclear probability density functions in cesium halides | 1-gen-2022 | Gronbech T.B.E.; Tolborg K.; Ceresoli D.; Iversen B.B. | |
| GIPAW Pseudopotentials of d Elements for Solid-State NMR | 1-gen-2022 | Tantardini, C; Kvashnin, Ag; Ceresoli, D | |
| High-Pressure, High-Temperature Studies of Phase Transitions in SrOsO3 - Discovery of a Post-Perovskite | 1-gen-2022 | Kronbo Camilla, Hjort; Ehrenreichpetersen, Emma; Ottesen, Martin; Menescardi, Francesca; Ceresoli, Davide; Bremholm, Martin | |
| On the Triggering of Partial Discharges in Polyethylene: Chemical and Electronic Characterization | 1-gen-2022 | Buccella, Giacomo; Ceresoli, Davide; Villa, Andrea; Barbieri, Luca; Malgesini, Roberto | |
| Structure and Surface Relaxation of CeO2 Nanoparticles Unveiled by Combining Real and Reciprocal Space Total Scattering Analysis | 1-gen-2022 | Scavini M.; Bertolotti F.; Mlloja J.; Umbri F.; Bosc A.; Cappelli S.; Checchia S.; Oliva C.; Fumagalli P.; Ceresoli D.; Longhi M.; Guagliardi A.; Coduri M. | |
| About the deterioration of polyethylene exposed to plasma discharges: A comparison between two models | 1-gen-2021 | Buccella, Giacomo; Villa, Andrea; Ceresoli, Davide; Barbieri, Luca; Malgesini, Roberto; LeonGarzon, Andres R. | |
| Advanced modeling of materials with PAOFLOW 2.0: New features and software design | 1-gen-2021 | Cerasoli Frank, T; Supka Andrew, R; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sawiska, Jagoda; Curtarolo, Stefano; Fornari, Marco; Ceresoli, Davide; Buongiorno Nardelli, Marco | |
| Comparative analysis of dft+u, acbn0, and hybrid functionals on the spin density of ytio<inf>3</inf> and srruo<inf>3</inf> | 1-gen-2021 | Menescardi, Francesca; Ceresoli, Davide | |
| Electronic structure of defected polyethylene for Schottky emission | 1-gen-2021 | Buccella, Giacomo; Ceresoli, Davide; Villa, Andrea; Barbieri, Luca; Malgesini, Roberto | |
| eQE 2.0: Subsystem DFT beyond GGA functionals | 1-gen-2021 | Mi, Wenhui; Shao, Xuecheng; Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele | |
| First-Principles Study on Electron-Induced Excitations of Atomic Layer Deposition Precursors: Inelastic Electron Wave Packet Scattering with... | 1-gen-2021 | Yao, Xiaolong; Lee, Yeonghun; Ceresoli, Davide; Cho, Kyeongjae | |
| First-Principles Study on the Crystalline Ga4Sb6Te3 Phase Change Compound | 1-gen-2021 | Baratella, ; Dario, ; Dragoni, ; Daniele, ; Ceresoli, Davide; Ceresoli, Davide; Bernasconi, ; Marco, |