Publications S3-NANO | CNR Istituto Nanoscienze

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Comprehensive study of SrF2 growth on highly oriented pyrolytic graphite (HOPG): Temperature-dependent van der Waals epitaxy; Borghi M., Giovanelli G., Montecchi M., Capelli R., Mescola A., Paolicelli G., D'Addato S., Grasser T., Pasquali L.; Applied Surface Science (680); 161310 (2025) 10.1016/j.apsusc.2024.161310

Defects in polysilicon channel: Insight from first principles and multi-scale modelling; Maji R., Rollo T., Gangopadhyay S., Luppi E., Degoli E., Nardi F., Larcher L., Pešić M.; Solid-State Electronics (223); 109031 (2025) 10.1016/j.sse.2024.109031

Synthesis of AlxCoCrFeNi HEA thin films by high power impulse magnetron sputtering: Effect of substrate bias voltage; Togni A., Montagner F., Miorin E., Mortalò C., Zin V., Bolelli G., Lusvarghi L., Frabboni S., Gazzadi G.C., Armelao L., Deambrosis S.M.; Surface and Coatings Technology (496); 131644 (2025) 10.1016/j.surfcoat.2024.131644

Synergistic Effect of Oxygen and Water on the Environmental Reactivity of 2D Layered GeAs; Persichetti L., Giorgi G., Lozzi L., Passacantando M., Bournel F., Gallet J.J., Camilli L.; Journal of Physical Chemistry C (2025) 10.1021/acs.jpcc.4c07315

Protein-surface interactions in nano-scale biosensors for IL-6 detection using functional monolayers; Giberti S., Dutta S., Corni S., Frasconi M., Brancolini G.; Nanoscale (17); 4389-4399 (2025) 10.1039/d4nr04199b

Adaptive energy reference for machine-learning models of the electronic density of states; How W.B., Chong S., Grasselli F., Huguenin-Dumittan K.K., Ceriotti M.; Physical Review Materials (9); 013802 (2025) 10.1103/PhysRevMaterials.9.013802

Automated computational workflows for muon spin spectroscopy; Onuorah I.J., Bonacci M., Isah M.M., Mazzani M., De Renzi R., Pizzi G., Bonfà P.; Digital Discovery (4); 523-538 (2025) 10.1039/d4dd00314d

Schottky contact modulation at a-GeSe/TiN interface for ovonic switching selectors; Slassi A., Tavanti F., Clima S., Garbin D., Calzolari A.; Applied Surface Science (689); 162455 (2025) 10.1016/j.apsusc.2025.162455

β-Cyclodextrin nanosponges for the ocular delivery of therapeutic Micro-RNA in a Mouse model of retinitis Pigmentosa: A proof of concept study; Piano I., Polini B., Corsi F., Carpi S., Petrarolo G., Quattrini L., D'Agostino I., Gamberini M.C., Baraldi C., Chiellini G., Nieri P., Motta C.L., Gargini C.; European Journal of Pharmaceutics and Biopharmaceutics (208); 114660 (2025) 10.1016/j.ejpb.2025.114660

Probing spin-electric transitions in a molecular exchange qubit; le Mardelé F., Mohelský I., Wyzula J., Orlita M., Turek P., Troiani F., Boudalis A.K.; Nature Communications (16); 1198 (2025) 10.1038/s41467-025-56453-1

Conformational heterogeneity and protonation equilibria shape the photocycle branching in channelrhodopsin-2; Bellucci L., Capone M., Daidone I., Zanetti-Polzi L.; International Journal of Biological Macromolecules (305); 140977 (2025) 10.1016/j.ijbiomac.2025.140977

Transport coefficients from equilibrium molecular dynamics; Pegolo P., Drigo E., Grasselli F., Baroni S.; Journal of Chemical Physics (162); 064111 (2025) 10.1063/5.0249677

Folded pseudochiral Fermi surface in 4Hb-TaSe2 from band hybridization with a charge density wave; Watson M.D., Tonelli A., Zerabza M., Hayward S., Wilkinson R., Carpene E., Cacho C., De Renzi V., Crampin S., Da Como E.; Communications Materials (6); 24 (2025) 10.1038/s43246-025-00743-0

3D-Bioprinted Light-Sensitive Cell Scaffold Based on Alginate-Conjugated Polymer Nanoparticles for Biophotonics Applications; Ciocca M., Febo C., Gentile G., Orlando A., Massoumi F., Altana A., Cantarella G., Zanon A., Gaiardo A., Lugli P., Petti L.; BioNanoScience (15); 251 (2025) 10.1007/s12668-025-01863-0

InP/GaSb core-shell nanowires: A novel hole-based platform with strong spin-orbit coupling for full-shell hybrid devices; Vezzosi A., Payá C., Wójcik P., Bertoni A., Goldoni G., Prada E., Escribano S.D.; SciPost Physics (18); 069 (2025) 10.21468/SciPostPhys.18.2.069

Pressure-tuned many-body phases through Γ-K valleytronics in moiré bilayer WSe2; Brzezińska M., Grytsiuk S., Rösner M., Gibertini M., Rademaker L.; 2D Materials (12); 015003 (2025) 10.1088/2053-1583/ad7c5f

Cell stretching devices integrated with live cell imaging: a powerful approach to study how cells react to mechanical cues; Bighi B., Ragazzini G., Gallerani A., Mescola A., Scagliarini C., Zannini C., Marcuzzi M., Olivi E., Cavallini C., Tassinari R., Bianchi M., Corsi L., Ventura C., Alessandrini A.; Progress in Biomedical Engineering (7); 012005 (2025) 10.1088/2516-1091/ad9699

Author Correction: Probing spin-electric transitions in a molecular exchange qubit (Nature Communications, (2025), 16, 1, (1198), 10.1038/s41467-025-56453-1); le Mardelé F., Mohelský I., Wyzula J., Orlita M., Turek P., Troiani F., Boudalis A.K.; Nature Communications (16); 2120 (2025) 10.1038/s41467-025-57502-5

Synergistic Effect of Oxygen and Water on the Environmental Reactivity of 2D Layered GeAs; Persichetti L., Giorgi G., Lozzi L., Passacantando M., Bournel F., Gallet J.J., Camilli L.; Journal of Physical Chemistry C (129); 1173-1182 (2025) 10.1021/acs.jpcc.4c07315

Single MoS2 Nanotube Experimental Optical Extinction Cross Section; Colosimo A., Crut A., Lascoux N., Panais C., Casto A., Vialla F., Demontis V., Martini L., Rosi P., Rotunno E., Gazzadi G.C., Beleggia M., Krishnappa M., Zak A., Beltram F., Rossella F., Vallée F., Del Fatti N., Banfi F., Maioli P.; Journal of Physical Chemistry C (129); 5086-5094 (2025) 10.1021/acs.jpcc.4c08613

Magnetic transparent conductors for spintronic applications; D'Amico P., Catellani A., Ruini A., Curtarolo S., Fornari M., Buongiorno Nardelli M., Calzolari A.; Acta Materialia (289); 120850 (2025) 10.1016/j.actamat.2025.120850

Switching on and off the spin polarization of the conduction band in antiferromagnetic bilayer transistors; Yao F., Liao M., Gibertini M., Cheon C.Y., Lin X., Wu F., Watanabe K., Taniguchi T., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Nanotechnology 42 (2025) 10.1038/s41565-025-01872-w

Unconventional gate-induced superconductivity in transition-metal dichalcogenides; Sohier T., Gibertini M., Martin I., Morpurgo A.F.; Physical Review Research (7); 013290 (2025) 10.1103/PhysRevResearch.7.013290

Broken symmetry solutions in one-dimensional lattice models via many-body perturbation theory; Quinzi M., Chiarotti T., Gibertini M., Ferretti A.; Physical Review B (111); 125148 (2025) 10.1103/PhysRevB.111.125148

Active optical modulation in hybrid transparent-conductive oxide/electro-optic multilayers; Maffei R.M., Magnozzi M., Sygletou M., Colace S., D’Addato S., Petrov A.Y., Canepa M., Torelli P., di Bona A., Benedetti S., Bisio F.; Journal of Materials Chemistry C (13); 6346-6353 (2025) 10.1039/d4tc04748f

A Benzodiazepine-Derived Molecule That Interferes with the Bio-Mechanical Properties of Glioblastoma-Astrocytoma Cells Altering Their Proliferation and Migration; Ragazzini G., Mescola A., Tassinari R., Gallerani A., Zannini C., Di Rosa D., Cavallini C., Marcuzzi M., Taglioli V., Bighi B., Ettari R., Zappavigna V., Ventura C., Alessandrini A., Corsi L.; International Journal of Molecular Sciences (26); 2767 (2025) 10.3390/ijms26062767

Tungsten oxide nanocrystals doped with interstitial methylammonium cations; Kendall O., Melendez L.V., Guven Bicer M.N., Wilms M., van Embden J., Gómez D.E., Calzolari A., Prezzi D., Della Gaspera E.; Nanoscale (17); 7030-7034 (2025) 10.1039/d4nr04655b

Lattice thermal conductivity in the anharmonic overdamped regime; Dangić D., Caldarelli G., Bianco R., Savić I., Errea I.; Physical Review B (111); 104314 (2025) 10.1103/PhysRevB.111.104314

Perfect chiral quantum routing; Cavazzoni S., Ragazzi G., Bordone P., Paris M.G.A.; Physical Review A (111); 032439 (2025) 10.1103/PhysRevA.111.032439

Computational analysis of the structural-functional dynamics of a Co-receptor proteoglycan; Tavanti F., Brancolini G., Perris R.; Frontiers in Molecular Biosciences (12); 1549177 (2025) 10.3389/fmolb.2025.1549177

An intramolecular FRET biosensor for the detection of SARS-CoV-2 in biological fluids; Montepietra D., Germelli L., Marchetti L., Tozzini V., Angeloni E., Giacomelli C., Storti B., Bizzarri R., Barresi E., Taliani S., Brancolini G., Da Pozzo E.; Nanoscale (17); 8803-8815 (2025) 10.1039/d4nr05040a

Genuine multipartite entanglement from many-electron systems; Troiani F., Angeli C., Secchi A., Pittalis S.; Physical Review B (111); L161110 (2025) 10.1103/PhysRevB.111.L161110

Corrigendum to: Leuconostoc performance in soy-based fermentations - Survival, acidification, sugar metabolism, and flavor comparisons [Food Microbiol. 115 (2023) 104337; Wätjen A.P., De Vero L., Núñez Carmona E., Sberveglieri V., Huang W., Turner M.S., Bang-Berthelsen C.H.; Food microbiology (117); 104371 (2024) 10.1016/j.fm.2023.104371

Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery; Divilov S., Eckert H., Hicks D., Oses C., Toher C., Friedrich R., Esters M., Mehl M.J., Zettel A.C., Lederer Y., Zurek E., Maria J.P., Brenner D.W., Campilongo X., Filipović S., Fahrenholtz W.G., Ryan C.J., DeSalle C.M., Crealese R.J., Wolfe D.E., Calzolari A., Curtarolo S.; Nature (625); 66-73 (2024) 10.1038/s41586-023-06786-y

Effect of Mo content on the microstructure and mechanical properties of CoCrFeNiMox HEA coatings deposited by high power impulse magnetron sputtering; Zin V., Montagner F., Miorin E., Mortalò C., Tinazzi R., Bolelli G., Lusvarghi L., Togni A., Frabboni S., Gazzadi G., Mescola A., Paolicelli G., Armelao L., Deambrosis S.M.; Surface and Coatings Technology (476); 130244 (2024) 10.1016/j.surfcoat.2023.130244

Electronic structure and lattice dynamics of 1T-VSe2: Origin of the three-dimensional charge density wave; Diego J., Subires D., Said A.H., Chaney D.A., Korshunov A., Garbarino G., Diekmann F., Mahatha S.K., Pardo V., Wilkinson J.M., Lord J.S., Strempfer J., Perez P.J.B., Francoual S., Popescu C., Tallarida M., Dai J., Bianco R., Monacelli L., Calandra M., Bosak A., Mauri F., Rossnagel K., Fumega A.O., Errea I., Blanco-Canosa S.; Physical Review B (109); 035133 (2024) 10.1103/PhysRevB.109.035133

Concurring effect of doping and composition on the thermodynamic properties of amorphous GexSe1-x alloys; Tavanti F., Calzolari A.; Acta Materialia (266); 119676 (2024) 10.1016/j.actamat.2024.119676

Temperature behavior and logic circuit applications of InAs nanowire-based field-effect transistors; Viscardi L., Faella E., Intonti K., Giubileo F., Demontis V., Prete D., Zannier V., Sorba L., Rossella F., Di Bartolomeo A.; Materials Science in Semiconductor Processing (173); 108167 (2024) 10.1016/j.mssp.2024.108167

Structures and electronic states of nickel-rich oxides for lithium ion batteries; Yousuf S., Mridha M.M., Magri R.; Materials Advances (2024) 10.1039/d3ma00906h

On-site and intersite Hubbard corrections in magnetic monolayers: The case of FePS3 and CrI3; Haddadi F., Linscott E., Timrov I., Marzari N., Gibertini M.; Physical Review Materials (8); 014007 (2024) 10.1103/PhysRevMaterials.8.014007

Enhancement and anisotropy of electron Landé factor due to spin-orbit interaction in semiconductor nanowires; Czarnecki J., Bertoni A., Goldoni G., Wójcik P.; Physical Review B (109); 085411 (2024) 10.1103/PhysRevB.109.085411

Efficient GW calculations via interpolation of the screened interaction in momentum and frequency space: The case of graphene; Guandalini A., Leon D.A., D'Amico P., Cardoso C., Ferretti A., Rontani M., Varsano D.; Physical Review B (109); 075120 (2024) 10.1103/PhysRevB.109.075120

Coin dimensionality as a resource in quantum metrology involving discrete-time quantum walks; Cavazzoni S., Razzoli L., Ragazzi G., Bordone P., Paris M.G.A.; Physical Review A (109); 022432 (2024) 10.1103/PhysRevA.109.022432

Influence of magnetism on vertical hopping transport in CrSBr; Lin X., Wu F., López-Paz S.A., Von Rohr F.O., Gibertini M., Gutiérrez-Lezama I., Morpurgo A.F.; Physical Review Research (6); 013185 (2024) 10.1103/PhysRevResearch.6.013185

Initial stages of growth and electronic properties of epitaxial SrF2 thin films on Ag(1 1 1); Borghi M., Mescola A., Paolicelli G., Montecchi M., D'Addato S., Vacondio S., Bursi L., Ruini A., Doyle B.P., Grasser T., Pasquali L.; Applied Surface Science (656); 159724 (2024) 10.1016/j.apsusc.2024.159724

FRETpredict: a Python package for FRET efficiency predictions using rotamer libraries; Montepietra D., Tesei G., Martins J.M., Kunze M.B.A., Best R.B., Lindorff-Larsen K.; Communications Biology (7); 298 (2024) 10.1038/s42003-024-05910-6

Solid-State Color Centers for Single-Photon Generation; Andrini G., Amanti F., Armani F., Bellani V., Bonaiuto V., Cammarata S., Campostrini M., Dao T.H., De Matteis F., Demontis V., Di Giuseppe G., Ditalia Tchernij S., Donati S., Fontana A., Forneris J., Francini R., Frontini L., Gunnella R., Iadanza S., Kaplan A.E., Lacava C., Liberali V., Marzioni F., Nieto Hernández E., Pedreschi E., Piergentili P., Prete D., Prosposito P., Rigato V., Roncolato C., Rossella F., Salamon A., Salvato M., Sargeni F., Shojaii J., Spinella F., Stabile A., Toncelli A., Trucco G., Vitali V.; Photonics (11); 188 (2024) 10.3390/photonics11020188

Role of Metal Dopants in Hydrogen Dissociation on Cu:CeO2 and Fe:CeO2 Surfaces Studied by Ambient-Pressure X-ray Absorption Spectroscopy; Vikatakavi A., Mauri S., Rivera-Salazar M.L., Dobovičnik E., Pelatti S., D’Addato S., Torelli P., Luches P., Benedetti S.; ACS Applied Energy Materials (7); 2746-2754 (2024) 10.1021/acsaem.3c03169

Tuning the low-temperature phase behavior of aqueous ionic liquids; Bachler J., Daidone I., Zanetti-Polzi L., Loerting T.; Physical Chemistry Chemical Physics (26); 9741-9753 (2024) 10.1039/d3cp06101a

Excitons in layered BiI3: Effects of dimensionality and crystal anisotropy; Cervantes-Villanueva J., Paleari F., García-Cristóbal A., Sangalli D., Molina-Sánchez A.; Physical Review B (109); 155133 (2024) 10.1103/PhysRevB.109.155133

Vibronic Coupling Drives the Ultrafast Internal Conversion in a Functionalized Free-Base Porphyrin; Petropoulos V., Rukin P.S., Quintela F., Russo M., Moretti L., Moore A., Moore T., Gust D., Prezzi D., Scholes G.D., Molinari E., Cerullo G., Troiani F., Rozzi C.A., Maiuri M.; Journal of Physical Chemistry Letters 4461-4467 (2024) 10.1021/acs.jpclett.4c00372

Quantum sensing of magnetic fields with molecular spins; Bonizzoni C., Ghirri A., Santanni F., Affronte M.; npj Quantum Information (10); 41 (2024) 10.1038/s41534-024-00838-5

Photoexcitation in germanium probed by attosecond transient reflectivity spectroscopy; Inzani G., Adamska L., Eskandari-Asl A., Di Palo N., Dolso G.L., Moio B., D'Onofrio L.J., Lamperti A., Molle A., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Avella A., Lucchini M.; Proceedings of SPIE - The International Society for Optical Engineering (12884); 1288408 (2024) 10.1117/12.3001370

Synergistic effect of graphene and nanodiamonds to achieve ultra-low friction on rough DLC coatings; Mescola A., Lodi A., Zanni F., Rota A., Gerbi A., Bernini C., Schott M., Repetto L., Camisasca A., Giordani S., Buzio R., Paolicelli G.; Diamond and Related Materials (145); 111149 (2024) 10.1016/j.diamond.2024.111149

Large impact of phonon lineshapes on the superconductivity of solid hydrogen; Dangić Ð., Monacelli L., Bianco R., Mauri F., Errea I.; Communications Physics (7); 150 (2024) 10.1038/s42005-024-01643-4

Meta-Substituted Asymmetric Azobenzenes: Insights into Structure–Property Relationship; Sanna A.L., Pachova T., Catellani A., Calzolari A., Sforazzini G.; Molecules (29); 1929 (2024) 10.3390/molecules29091929

Bending rigidity, sound propagation and ripples in flat graphene; Aseginolaza U., Diego J., Cea T., Bianco R., Monacelli L., Libbi F., Calandra M., Bergara A., Mauri F., Errea I.; Nature Physics (2024) 10.1038/s41567-024-02441-z

Evaluating Polyacrylic Acid as a Universal Aqueous Binder for Ni-Rich Cathodes NMC811 and Si Anodes in Full Cell Lithium-ion Batteries; Boz B., Fröhlich K., Neidhart L., Molaiyan P., Bertoni G., Ricci M., De Boni F., Vuksanovic M., Romio M., Whitmore K., Jahn M.; ChemPlusChem (2024) 10.1002/cplu.202400195

Defectivity of Al:ZnO thin films with different crystalline order probed by Positron Annihilation Spectroscopy; Magrin Maffei R., Butterling M., Liedke M.O., D'Addato S., di Bona A., Bertoni G., Gazzadi G.C., Mariazzi S., Wagner A., Brusa R.S., Benedetti S.; Applied Surface Science (665); 160240 (2024) 10.1016/j.apsusc.2024.160240

Insights into the stability and reactivity of lithiated Si-binder interfaces for next generation lithium-ion batteries; Maji R., Salvador M.A., Ruini A., Magri R., Taskin O.S., Yuca N., Degoli E.; Journal of Power Sources (610); 234705 (2024) 10.1016/j.jpowsour.2024.234705

Characterization of partially accessible anisotropic spin chains in the presence of anti-symmetric exchange; Cavazzoni S., Adani M., Bordone P., Paris M.G.A.; New Journal of Physics (26); 053024 (2024) 10.1088/1367-2630/ad48ae

Going Beyond the GW Approximation Using the Time-Dependent Hartree-Fock Vertex; Vacondio S., Varsano D., Ruini A., Ferretti A.; Journal of Chemical Theory and Computation (20); 4718-4737 (2024) 10.1021/acs.jctc.4c00100

Coherent Vibrations Promote Charge-Transfer across a Graphene-Based Interface; Casotto A., Rukin P.S., Fresch E., Prezzi D., Freddi S., Sangaletti L., Rozzi C.A., Collini E., Pagliara S.; Journal of the American Chemical Society (146); 14989-14999 (2024) 10.1021/jacs.3c12705

Non-trivial quantum geometry and the strength of electron–phonon coupling; Yu J., Ciccarino C.J., Bianco R., Errea I., Narang P., Bernevig B.A.; Nature Physics (2024) 10.1038/s41567-024-02486-0

Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics; Zanetti-Polzi L., Pantazis D.A., Daidone I.; ChemPhotoChem (8); e202300307 (2024) 10.1002/cptc.202300307

Kinetic and dynamical properties of truncated hemoglobins of the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125; de Armiño D.J.A., Di Lella S., Montepietra D., Delcanale P., Bruno S., Giordano D., Verde C., Estrin D.A., Viappiani C., Abbruzzetti S.; Protein Science (33); e5064 (2024) 10.1002/pro.5064

Interplay between Theory and Photophysical Characterization in Symmetric α-Substituted Thienyl BODIPY Molecule; Virgili T., Ganzer L., Squeo B.M., Calzolari A., Pasini M.; Molecules (29); 2625 (2024) 10.3390/molecules29112625

Plasmonic properties and stability of Au and Cu nanoparticles embedded in cerium oxide; Spurio E., Pelatti S., D’Addato S., Luches P.; Journal of Physics Condensed Matter (36); 375003 (2024) 10.1088/1361-648X/ad5633

Integrated Photonic Passive Building Blocks on Silicon-on-Insulator Platform; Amanti F., Andrini G., Armani F., Barbato F., Bellani V., Bonaiuto V., Cammarata S., Campostrini M., Dao T.H., De Matteis F., Demontis V., Donati S., Di Giuseppe G., Ditalia Tchernij S., Fontana A., Forneris J., Frontini L., Gunnella R., Iadanza S., Kaplan A.E., Lacava C., Liberali V., Martini L., Marzioni F., Morescalchi L., Pedreschi E., Piergentili P., Prete D., Rigato V., Roncolato C., Rossella F., Salvato M., Sargeni F., Shojaii J., Spinella F., Stabile A., Toncelli A., Vitali V.; Photonics (11); 494 (2024) 10.3390/photonics11060494

Fast-forwarding molecular ground state preparation with optimal control on analog quantum simulators; Castaldo D., Rosa M., Corni S.; Journal of Chemical Physics (161); 014105 (2024) 10.1063/5.0204618

Envelope-function theory of inhomogeneous strain in semiconductor nanostructures; Secchi A., Troiani F.; Physical Review B (110); 045420 (2024) 10.1103/PhysRevB.110.045420

Early prediction of spinodal-like relaxation events in supercooled liquid water; Di Fonte N., Faccio C., Zanetti-Polzi L., Daidone I.; Journal of Chemical Physics (161); 034505 (2024) 10.1063/5.0211031

Capabilities of a novel electrochemical cell for operando XAS and SAXS investigations for PEM fuel cells and water electrolysers; Bogar M., Yakovlev Y., Pollastri S., Biagi R., Amenitsch H., Taccani R., Matolínová I.; Journal of Power Sources (615); 235070 (2024) 10.1016/j.jpowsour.2024.235070

A Fundamental Correlative Spectroscopic Study on Li1-xNiO2 and NaNiO2; Jacquet Q., Mozhzhukhina N., Gillespie P.N.O., Wittmann G., Ramirez L.P., Capone F.G., Rueff J.P., Belin S., Dedryvère R., Stievano L., Matic A., Suard E., Brookes N.B., Longo A., Prezzi D., Lyonnard S., Iadecola A.; Advanced Energy Materials (2024) 10.1002/aenm.202401413

Optical properties of metallic MXene multilayers through advanced first-principles calculations; Kandemir Z., D'Amico P., Sesti G., Cardoso C., Milošević M.V., Sevik C.; Physical Review Materials (8); 075201 (2024) 10.1103/PhysRevMaterials.8.075201

Energies and spectra of solids from the algorithmic inversion of dynamical Hubbard functionals; Chiarotti T., Ferretti A., Marzari N.; Physical Review Research (6); L032023 (2024) 10.1103/PhysRevResearch.6.L032023

Green's function embedding using sum-over-pole representations; Ferretti A., Chiarotti T., Marzari N.; Physical Review B (110); 045149 (2024) 10.1103/PhysRevB.110.045149

Persistent polarization effects and memory properties in ionic-liquid gated InAs nanowire transistors; Demontis V., Prete D., Faella E., Giubileo F., Zannier V., Durante O., Sorba L., Di Bartolomeo A., Rossella F.; Nano Express (5); 035007 (2024) 10.1088/2632-959X/ad6581

Symmetry and planar chirality measured with a log-polar transformation in a transmission electron microscope; Tavabi A.H., Rosi P., Ravelli R.B.G., Gijsbers A., Rotunno E., Guner T., Zhang Y., Roncaglia A., Belsito L., Pozzi G., Denneulin T., Gazzadi G.C., Ghosh M., Nijland R., Frabboni S., Peters P.J., Karimi E., Tiemeijer P., Dunin-Borkowski R.E., Grillo V.; Physical Review Applied (22); 014083 (2024) 10.1103/PhysRevApplied.22.014083

Dynamics of symmetry-protected topological matter on a quantum computer; Mercado M., Chen K., Darekar P.H., Nakano A., Di Felice R., Haas S.; Physical Review B (110); 075116 (2024) 10.1103/PhysRevB.110.075116

A differentiable quantum phase estimation algorithm; Castaldo D., Jahangiri S., Migliore A., Miguel Arrazola J., Corni S.; Quantum Science and Technology (9); 045026 (2024) 10.1088/2058-9565/ad69bc

Role of crystal orientation in attosecond photoinjection dynamics of germanium; Di Palo N., Adamska L., Bonetti S., Inzani G., Talarico M., Arias Velasco M., Dolso G.L., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Lucchini M.; Structural Dynamics (11); 044303 (2024) 10.1063/4.0000253

Critical metrology of minimally accessible anisotropic spin chains; Adani M., Cavazzoni S., Teklu B., Bordone P., Paris M.G.A.; Scientific Reports (14); 19933 (2024) 10.1038/s41598-024-70307-8

Interplay between magnetism and superconductivity in a hybrid magnon-photon bilayer system; Ghirri A., Bonizzoni C., Maksutoglu M., Affronte M.; Physical Review Applied (22); 034004 (2024) 10.1103/PhysRevApplied.22.034004

Dynamical friction in the quasi-linear formulation of modified Newtonian dynamics (QuMOND); Di Cintio P., Re F., Chiari C.; Astronomy and Astrophysics (689); A150 (2024) 10.1051/0004-6361/202450548

Time-dependent quantum/continuum modeling of plasmon-enhanced electronic circular dichroism; Biancorosso L., D’Antoni P., Corni S., Stener M., Coccia E.; Journal of Chemical Physics (161); 214104 (2024) 10.1063/5.0235531

Increasing the Resolution of Transmission Electron Microscopy by Computational Ghost Imaging; Rosi P., Viani L., Rotunno E., Frabboni S., Tavabi A.H., Dunin-Borkowski R.E., Roncaglia A., Grillo V.; Physical Review Letters (133); 123801 (2024) 10.1103/PhysRevLett.133.123801

Stochastic Schrödinger equation for hot-carrier dynamics in plasmonic systems; Dall’Osto G., Vanzan M., Corni S., Marsili M., Coccia E.; Journal of Chemical Physics (161); 124103 (2024) 10.1063/5.0221179

Friction and wear characteristics of DLC-terminated coatings deposited on AlSi10Mg alloy produced by Additive Manufacturing; Salerno E., Casotti D., Gualtieri E., Ballestrazzi A., Gazzadi G.C., Bolelli G., Lusvarghi L., Rota A., Valeri S., Paolicelli G.; Surface and Coatings Technology (494); 131422 (2024) 10.1016/j.surfcoat.2024.131422

Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics; Lafiosca P., Nicoli L., Pipolo S., Corni S., Giovannini T., Cappelli C.; Journal of Physical Chemistry C (128); 17513-17525 (2024) 10.1021/acs.jpcc.4c04002

Optimizing topology for quantum probing with discrete-time quantum walks; Cavazzoni S., Bordone P., Paris M.G.A.; AVS Quantum Science (6); 044401 (2024) 10.1116/5.0220640

Optical tweezers to investigate at the single-molecule level the interaction of thymidylate synthase with its consensus mRNA; Viader Godoy X., Malpezzi G., De Ros M., Mossa A., D'Arca D., Cecconi C., Costi M.P., Zaltron A.; Proceedings of SPIE - The International Society for Optical Engineering (13112); 1311202 (2024) 10.1117/12.3027499

Unveiling cofactor inhibition mechanisms in horse liver alcohol dehydrogenase: An allosteric driven regulation; Vetrano A., Capone M., Farina M., Gabriele F., Spreti N., Daidone I.; Bioorganic Chemistry (153); 107932 (2024) 10.1016/j.bioorg.2024.107932

Structural plasticity of arrestin-G protein coupled receptor complexes as a molecular determinant of signaling; Felline A., Bellucci L., Vezzi V., Ambrosio C., Cotecchia S., Fanelli F.; International Journal of Biological Macromolecules (283); 137217 (2024) 10.1016/j.ijbiomac.2024.137217

Spectral Design of Nano-Cerates for Emerging Passive Radiative Cooling Technologies: Theory Boosts Experiments; Borghesi C., Bondi R., Marchini F., Fabiani C., Latterini L., Castelli I.E., Pisello A.L., Giorgi G.; Nano Letters (2024) 10.1021/acs.nanolett.4c04891

Local Density Approximation for Excited States; Gould T., Pittalis S.; Physical Review X (14); 041045 (2024) 10.1103/PhysRevX.14.041045

Recent Advances in miRNA-Based Therapy for MASLD/MASH and MASH-Associated HCC; Carpi S., Daniele S., de Almeida J.F.M., Gabbia D.; International Journal of Molecular Sciences (25); 12229 (2024) 10.3390/ijms252212229

Moiré magnetism in CrBr3 multilayers emerging from differential strain; Yao F., Rossi D., Gabrovski I.A., Multian V., Hua N., Watanabe K., Taniguchi T., Gibertini M., Gutiérrez-Lezama I., Rademaker L., Morpurgo A.F.; Nature Communications (15); 10377 (2024) 10.1038/s41467-024-54870-2

Complementing Adiabatic and Nonadiabatic Methods To Understand Internal Conversion Dynamics in Porphyrin Derivatives; Rukin P.S., Fortino M., Prezzi D., Rozzi C.A.; Journal of Chemical Theory and Computation (20); 10759-10769 (2024) 10.1021/acs.jctc.4c00698

The role of crystal orientation in attosecond photoinjection dynamics in germanium; Talarico M., Di Palo N., Adamska L., Bonetti S., Inzani G., Velasco M.A., Dolso G.L., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Lucchini M.; EPJ Web of Conferences (309); 07015 (2024) 10.1051/epjconf/202430907015

Mapping the local stoichiometry in Cu nanoparticles during controlled oxidation by STEM-EELS spectral imaging; Spurio E., Bertoni G., D'Addato S., Alimonti F., Luches P.; Nanoscale (17); 4132-4141 (2024) 10.1039/d4nr04341c

Multifunctional Nanoparticles for Dual Imaging; Ali Z., Abbasi A.Z., Zhang F., Arosio P., Lascialfari A., Casula M.F., Wenk A., Kreyling W., Plapper R., Seidel M., Niessner R., Knöll J., Seubert A., Parak W.J.; Bio-Nano Interfaces: Perspectives, Properties, and Applications 381-396 (2024) 10.1201/9781003306498-19

aflow.org: A web ecosystem of databases, software and tools; Esters M., Oses C., Divilov S., Eckert H., Friedrich R., Hicks D., Mehl M.J., Rose F., Smolyanyuk A., Calzolari A., Campilongo X., Toher C., Curtarolo S.; Computational Materials Science (216); 111808 (2023) 10.1016/j.commatsci.2022.111808

Coupling Sub-nanoliter BDPA Organic Radical Spin Ensembles with YBCO Inverse Anapole Resonators; Bonizzoni C., Maksutoglu M., Ghirri A., van Tol J., Rameev B., Affronte M.; Applied Magnetic Resonance (54); 143-164 (2023) 10.1007/s00723-022-01505-8

Enhancing Tungsten Oxide Gasochromism with Noble Metal Nanoparticles: The Importance of the Interface; Longato A., Vanzan M., Colusso E., Corni S., Martucci A.; Small (19); 2205522 (2023) 10.1002/smll.202205522

Tuning the Electronic Response of Metallic Graphene by Potassium Doping; Marchiani D., Tonelli A., Mariani C., Frisenda R., Avila J., Dudin P., Jeong S., Ito Y., Magnani F.S., Biagi R., De Renzi V., Betti M.G.; Nano Letters (23); 170-176 (2023) 10.1021/acs.nanolett.2c03891

Automatic Alignment of an Orbital Angular Momentum Sorter in a Transmission Electron Microscope Using a Convolutional Neural Network; Rosi P., Clausen A., Weber D., Tavabi A.H., Frabboni S., Tiemeijer P., Dunin-Borkowski R.E., Rotunno E., Grillo V.; Microscopy and Microanalysis (29); 408-417 (2023) 10.1017/S143192762201248X

Interplay of Quantum Confinement and Strain Effects in Type I to Type II Transition in GeSi Core-Shell Nanocrystals; Marri I., Grillo S., Amato M., Ossicini S., Pulci O.; Journal of Physical Chemistry C (127); 1209-1219 (2023) 10.1021/acs.jpcc.2c07024

Photocatalytic degradation of sulfamethoxazole with Co-CuS@TiO2 heterostructures under solar light irradiation; Mertah O., Gómez-Avilés A., Slassi A., Kherbeche A., Belver C., Bedia J.; Catalysis Communications (175); 106611 (2023) 10.1016/j.catcom.2023.106611

Multi-Dimensional Quantum Capacitance of the Two-Site Hubbard Model: The Role of Tunable Interdot Tunneling; Secchi A., Troiani F.; Entropy (25); 82 (2023) 10.3390/e25010082

Heat-Driven Iontronic Nanotransistors; Prete D., Colosimo A., Demontis V., Medda L., Zannier V., Bellucci L., Tozzini V., Sorba L., Beltram F., Pisignano D., Rossella F.; Advanced Science (10); 2204120 (2023) 10.1002/advs.202204120

Anharmonic Exciton-Phonon Coupling in Metal-Organic Chalcogenides Hybrid Quantum Wells; Kastl C., Bonfà P., Maserati L.; Advanced Optical Materials (11); 2202213 (2023) 10.1002/adom.202202213

Device-to-Materials Pathway for Electron Traps Detection in Amorphous GeSe-Based Selectors; Slassi A., Medondjio L.S., Padovani A., Tavanti F., He X., Clima S., Garbin D., Kaczer B., Larcher L., Ordejón P., Calzolari A.; Advanced Electronic Materials (9); 2201224 (2023) 10.1002/aelm.202201224

Vibrational response functions for multidimensional electronic spectroscopy in nonadiabatic models; Troiani F.; Journal of Chemical Physics (158); 054110 (2023) 10.1063/5.0129073

Effect of uniaxial strain on the excitonic properties of monolayer C3 N: A symmetry-based analysis; Zanfrognini M., Spallanzani N., Bonacci M., Molinari E., Ruini A., Caldas M.J., Ferretti A., Varsano D.; Physical Review B (107); 045430 (2023) 10.1103/PhysRevB.107.045430

Tribological behaviour of Ti3C2T x nano-sheets: Substrate-dependent tribo-chemical reactions; Rota A., Bellina N., Wang B., Rosenkranz A.; Friction (2023) 10.1007/s40544-022-0709-3

Chirality-Specific Unidirectional Rotation of Molecular Motors on Cu(111); Schied M., Prezzi D., Liu D., Kowarik S., Jacobson P.A., Corni S., Tour J.M., Grill L.; ACS Nano (17); 3958-3965 (2023) 10.1021/acsnano.2c12720

The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster; Monti M., Brancolini G., Coccia E., Toffoli D., Fortunelli A., Corni S., Aschi M., Stener M.; Journal of Physical Chemistry Letters (14); 1941-1948 (2023) 10.1021/acs.jpclett.2c03923

The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100); Sorokin B.V., Pivetta M., Bellini V., Merk D., Reynaud S., Barla A., Brune H., Rusponi S.; Advanced Functional Materials (2023) 10.1002/adfm.202213951

Cytochalasin B Influences Cytoskeletal Organization and Osteogenic Potential of Human Wharton’s Jelly Mesenchymal Stem Cells; Pampanella L., Abruzzo P.M., Tassinari R., Alessandrini A., Petrocelli G., Ragazzini G., Cavallini C., Pizzuti V., Collura N., Canaider S., Facchin F., Ventura C.; Pharmaceuticals (16); 289 (2023) 10.3390/ph16020289

Site-Selective Chemical Vapor Deposition on Direct-Write 3D Nanoarchitectures; Porrati F., Barth S., Gazzadi G.C., Frabboni S., Volkov O.M., Makarov D., Huth M.; ACS Nano (17); 4704-4715 (2023) 10.1021/acsnano.2c10968

Non-covalent Functionalization of Pristine and Defective WSe2 by Electron Donor and Acceptor Molecules; Slassi A., Gali A., Cornil J., Pershin A.; ACS Applied Electronic Materials (5); 1660-1669 (2023) 10.1021/acsaelm.2c01718

A HydroDynamic Model for Trap-Assisted Tunneling Conduction in Ovonic Devices; Buscemi F., Piccinini E., Vandelli L., Nardi F., Padovani A., Kaczer B., Garbin D., Clima S., Degraeve R., Kar G.S., Tavanti F., Slassi A., Calzolari A., Larcher L.; IEEE Transactions on Electron Devices (70); 1808-1814 (2023) 10.1109/TED.2023.3242229

Influence of chirality on the aggregation of a new A-π-D-π-A small molecule with a benzodithiophene core: Spectroscopic and morphological investigations; Parenti F., Capelli R., Mucci A., Mortalò C., Paolicelli G., Pigani L., Vanossi D., Caselli M.; Optical Materials (138); 113619 (2023) 10.1016/j.optmat.2023.113619

First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate; Lechifflart P., Paleari F., Sangalli D., Attaccalite C.; Physical Review Materials (7); 024006 (2023) 10.1103/PhysRevMaterials.7.024006

Graphite-epoxy composites for bipolar plates: The gas permeability issue; Roncaglia F., Mucci A., Romagnoli M., Spinelli L., di Bona A., Biagi R.; International Journal of Hydrogen Energy (2023) 10.1016/j.ijhydene.2022.12.311

A first-principles study of self-healing binders for next-generation Si-based lithium-ion batteries; Maji R., Salvador M.A., Ruini A., Magri R., Degoli E.; Materials Today Chemistry (29); 101474 (2023) 10.1016/j.mtchem.2023.101474

Photoluminescence Spectroscopy of Cuprous Oxide: Bulk Crystal versus Crystalline Films; Soltanmohammadi M., Spurio E., Gloystein A., Luches P., Nilius N.; Physica Status Solidi (A) Applications and Materials Science (2023) 10.1002/pssa.202200887

Electronic Excited States in Extreme Limits via Ensemble Density Functionals; Gould T., Kooi D.P., Gori-Giorgi P., Pittalis S.; Physical Review Letters (130); 106401 (2023) 10.1103/PhysRevLett.130.106401

High electrochemical stability and low-agglomeration of defective Co3O4 nanoparticles supported on N-doped graphitic carbon nano-spheres for oxygen evolution reaction; El Jaouhari A., Slassi A., Zhang X., Pershin A., Ahsaine H.A., Li C., Lin Y.; International Journal of Hydrogen Energy (2023) 10.1016/j.ijhydene.2023.02.112

Efficient GW calculations in two dimensional materials through a stochastic integration of the screened potential; Guandalini A., D’Amico P., Ferretti A., Varsano D.; npj Computational Materials (9); 44 (2023) 10.1038/s41524-023-00989-7

Suppression of grain boundary contributions on carrier mobility in thin Al-doped ZnO epitaxial films; Magrin Maffei R., di Bona A., Sygletou M., Bisio F., D'Addato S., Benedetti S.; Applied Surface Science (624); 157133 (2023) 10.1016/j.apsusc.2023.157133

Photoactive p-Type Spinel CuGa2O4 Nanocrystals; Kendall O., Melendez L.V., Ren J., Ratnayake S.P., Murdoch B.J., Mayes E.L.H., van Embden J., Gómez D.E., Calzolari A., Della Gaspera E.; Nano Letters (23); 2974-2980 (2023) 10.1021/acs.nanolett.3c00359

Theory of multidimensional quantum capacitance and its application to spin and charge discrimination in quantum dot arrays; Secchi A., Troiani F.; Physical Review B (107); 155411 (2023) 10.1103/PhysRevB.107.155411

Friction and wear of DLC films deposited on additive manufactured AlSi10Mg: the role of surface finishing; Salerno E., Casotti D., Paolicelli G., Gualtieri E., Ballestrazzi A., Gazzadi G.C., Bolelli G., Lusvarghi L., Valeri S., Rota A.; Surface and Coatings Technology (463); 129531 (2023) 10.1016/j.surfcoat.2023.129531

Coherent Quantum Network of Superconducting Qubits as a Highly Sensitive Detector of Microwave Photons for Searching of Galactic Axions; Gatti C., Affronte M., Balanov A., Bonizzoni C., Brida G., Chiariello F., Chikhi N., Coda G., D'Elia A., Gioacchino D.D., Enrico E., Eremin I., Ernajes M., Il'ichev E., Fasolo L., Fistul M., Ghirri A., Greco A., Ligi C., Maccarone G., Meda A., Navez P., Oelsner G., Rajteri M., Rettaroli A., Ruggiero B., Savel'ev S., Silvestrini P., Tocci S., Ustinov A., Vanacore P., Zagoskin A., Lisitskiy M.; IEEE Transactions on Applied Superconductivity (2023) 10.1109/TASC.2023.3263807

Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials; Poncé S., Royo M., Stengel M., Marzari N., Gibertini M.; Physical Review B (107); 155424 (2023) 10.1103/PhysRevB.107.155424

Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions; Poncé S., Royo M., Gibertini M., Marzari N., Stengel M.; Physical Review Letters (13); 166301 (2023) 10.1103/PhysRevLett.130.166301

Structural and Dynamic Characterization of Li–Ionic Liquid Electrolyte Solutions for Application in Li-Ion Batteries: A Molecular Dynamics Approach; Salvador M.A., Maji R., Rossella F., Degoli E., Ruini A., Magri R.; Batteries (9); 234 (2023) 10.3390/batteries9040234

Single-Pixel Imaging in Space and Time with Optically Modulated Free Electrons; Konečná A., Rotunno E., Grillo V., García de Abajo F.J., Vanacore G.M.; ACS Photonics (2023) 10.1021/acsphotonics.3c00047

Thermoelectric and Structural Properties of Sputtered AZO Thin Films with Varying Al Doping Ratios; Isram M., Magrin Maffei R., Demontis V., Martini L., Forti S., Coletti C., Bellani V., Mescola A., Paolicelli G., Rota A., Benedetti S., Bona A.d., Ribeiro J.M., Tavares C.J., Rossella F.; Coatings (13); 691 (2023) 10.3390/coatings13040691

Efficient full frequency GW for metals using a multipole approach for the dielectric screening; Leon D.A., Ferretti A., Varsano D., Molinari E., Cardoso C.; Physical Review B (107); 155130 (2023) 10.1103/PhysRevB.107.155130

Roadmap on thermoelectricity; Artini C., Pennelli G., Graziosi P., Li Z., Neophytou N., Melis C., Colombo L., Isotta E., Lohani K., Scardi P., Castellero A., Baricco M., Palumbo M., Casassa S., Maschio L., Pani M., Latronico G., Mele P., Di Benedetto F., Contento G., De Riccardis M.F., Fucci R., Palazzo B., Rizzo A., Demontis V., Prete D., Isram M., Rossella F., Ferrario A., Miozzo A., Boldrini S., Dimaggio E., Franzini M., Galliano S., Barolo C., Mardi S., Reale A., Lorenzi B., Narducci D., Trifiletti V., Milita S., Bellucci A., Trucchi D.M.; Nanotechnology (34); 292001 (2023) 10.1088/1361-6528/acca88

Defective graphene decorated with TiO2 nanoparticles as negative electrode in Li-ion batteries; Sidoli M., Magnani G., Fornasini L., Scaravonati S., Morenghi A., Vezzoni V., Bersani D., Bertoni G., Gaboardi M., Riccò M., Pontiroli D.; Journal of Alloys and Compounds (958); 170420 (2023) 10.1016/j.jallcom.2023.170420

Injecting Electrons into CeO2 via Photoexcitation of Embedded Au Nanoparticles; Spurio E., Pelli Cresi J.S., Ammirati G., Pelatti S., Paladini A., D’Addato S., Turchini S., O’Keeffe P., Catone D., Luches P.; ACS Photonics (10); 1566-1574 (2023) 10.1021/acsphotonics.3c00184

Anisotropic rheology and friction of suspended graphene; Mescola A., Silva A., Khosravi A., Vanossi A., Tosatti E., Valeri S., Paolicelli G.; Physical Review Materials (7); 054007 (2023) 10.1103/PhysRevMaterials.7.054007

Liquid metal fabrication of ultrathin Ga2O3 and GaN layers for integrated optics; Pedram P., Zavabeti A., Syed N., Slassi A., Nguyen C.K., Fornacciari B., Lamirand A., Galipaud J., Calzolari A., Boes A., Daeneke T., Cueff S., Mitchell A., Monat C.; Proceedings of SPIE - The International Society for Optical Engineering (12423); 1242309 (2023) 10.1117/12.2659145

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows; Bonacci M., Qiao J., Spallanzani N., Marrazzo A., Pizzi G., Molinari E., Varsano D., Ferretti A., Prezzi D.; npj Computational Materials (9); 74 (2023) 10.1038/s41524-023-01027-2

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin; Zanetti-Polzi L., Daidone I., Iacobucci C., Amadei A.; Protein Journal (42); 219-228 (2023) 10.1007/s10930-023-10123-7

Structural analysis of water networks; Benzi M., Daidone I., Faccio C., Zanetti-Polzi L.; Journal of Complex Networks (11); cnad001 (2023) 10.1093/comnet/cnad001

Gate-Controlled Magnetotransport and Electrostatic Modulation of Magnetism in 2D Magnetic Semiconductor CrPS4; Wu F., Gibertini M., Watanabe K., Taniguchi T., Gutiérrez-Lezama I., Ubrig N., Morpurgo A.F.; Advanced Materials (2023) 10.1002/adma.202211653

The NF–Y splicing signature controls hybrid EMT and ECM-related pathways to promote aggressiveness of colon cancer; Rigillo G., Belluti S., Campani V., Ragazzini G., Ronzio M., Miserocchi G., Bighi B., Cuoghi L., Mularoni V., Zappavigna V., Dolfini D., Mercatali L., Alessandrini A., Imbriano C.; Cancer Letters (567); 216262 (2023) 10.1016/j.canlet.2023.216262

QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models; Lafiosca P., Nicoli L., Bonatti L., Giovannini T., Corni S., Cappelli C.; Journal of Chemical Theory and Computation (19); 3616-3633 (2023) 10.1021/acs.jctc.3c00177

Advances in ultrafast plasmonics; Koya A.N., Romanelli M., Kuttruff J., Henriksson N., Stefancu A., Grinblat G., De Andres A., Schnur F., Vanzan M., Marsili M., Rahaman M., Viejo Rodríguez A., Tapani T., Lin H., Dana B.D., Lin J., Barbillon G., Proietti Zaccaria R., Brida D., Jariwala D., Veisz L., Cortés E., Corni S., Garoli D., Maccaferri N.; Applied Physics Reviews (10); 021318 (2023) 10.1063/5.0134993

One-Dimensional “Ghost Imaging” in Electron Microscopy of Inelastically Scattered Electrons; Rotunno E., Gargiulo S., Vanacore G.M., Mechel C., Tavabi A.H., Dunin-Borkowski R.E., Carbone F., Madan I., Frabboni S., Guner T., Karimi E., Kaminer I., Grillo V.; ACS Photonics (10); 1708-1715 (2023) 10.1021/acsphotonics.2c01925

Mechanism and Dynamics of Photodecarboxylation Catalyzed by Lactate Monooxygenase; Li X., Page C.G., Zanetti-Polzi L., Kalra A.P., Oblinsky D.G., Daidone I., Hyster T.K., Scholes G.D.; Journal of the American Chemical Society (145); 13232-13240 (2023) 10.1021/jacs.3c02446

Long-Term Degradation Mechanisms in Application-Implemented Radical Thin Films; Nowik-Boltyk E.M., Junghoefer T., Glaser M., Giangrisostomi E., Ovsyannikov R., Zhang S., Shu C., Rajca A., Calzolari A., Casu M.B.; ACS Applied Materials and Interfaces (15); 30935-30943 (2023) 10.1021/acsami.3c02057

Expansion of the Materials Cloud 2D Database; Campi D., Mounet N., Gibertini M., Pizzi G., Marzari N.; ACS Nano (17); 11268-11278 (2023) 10.1021/acsnano.2c11510

Quenching of low-energy optical absorption in bilayer C3 N polytypes; Zanfrognini M., Bonacci M., Paleari F., Molinari E., Ruini A., Ferretti A., Caldas M.J., Varsano D.; Physical Review Materials (7); 064006 (2023) 10.1103/PhysRevMaterials.7.064006

Simple and effective screening parameter for range-separated dielectric-dependent hybrids; Jana S., Ghosh A., Constantin L.A., Samal P.; Physical Review B (108); 045101 (2023) 10.1103/PhysRevB.108.045101

Human Small Heat Shock Protein B8 Inhibits Protein Aggregation without Affecting the Native Folding Process; Choudhary D., Mediani L., Avellaneda M.J., Bjarnason S., Alberti S., Boczek E.E., Heidarsson P.O., Mossa A., Carra S., Tans S.J., Cecconi C.; Journal of the American Chemical Society (2023) 10.1021/jacs.3c02022

The beauty and complexity of the small heat shock proteins: a report on the proceedings of the fourth workshop on small heat shock proteins; Ecroyd H., Bartelt-Kirbach B., Ben-Zvi A., Bonavita R., Bushman Y., Casarotto E., Cecconi C., Lau W.C.Y., Hibshman J.D., Joosten J., Kimonis V., Klevit R., Liberek K., McMenimen K.A., Miwa T., Mogk A., Montepietra D., Peters C., Rocchetti M.T., Saman D., Sisto A., Secco V., Strauch A., Taguchi H., Tanguay M., Tedesco B., Toth M.E., Wang Z., Benesch J.L.P., Carra S.; Cell Stress and Chaperones (2023) 10.1007/s12192-023-01360-x

Dielectric response and excitations of hydrogenated free-standing graphene; Betti M.G., Marchiani D., Tonelli A., Sbroscia M., Blundo E., De Luca M., Polimeni A., Frisenda R., Mariani C., Jeong S., Ito Y., Cavani N., Biagi R., Gillespie P.N.O., Hernandez Bertran M.A., Bonacci M., Molinari E., De Renzi V., Prezzi D.; Carbon Trends (12); 100274 (2023) 10.1016/j.cartre.2023.100274

Experimental investigation of electronic interactions in collapsed and uncollapsed LaFe2As2 phases; Pallecchi I., Stellino E., Postorino P., Iyo A., Ogino H., Affronte M., Putti M.; Physical Review B (108); 014512 (2023) 10.1103/PhysRevB.108.014512

Ultrastrong Magnon-Photon Coupling Achieved by Magnetic Films in Contact with Superconducting Resonators; Ghirri A., Bonizzoni C., Maksutoglu M., Mercurio A., Di Stefano O., Savasta S., Affronte M.; Physical Review Applied (20); 024039 (2023) 10.1103/PhysRevApplied.20.024039

Multiple antiferromagnetic phases and magnetic anisotropy in exfoliated CrBr3 multilayers; Yao F., Multian V., Wang Z., Ubrig N., Teyssier J., Wu F., Giannini E., Gibertini M., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Communications (14); 4969 (2023) 10.1038/s41467-023-40723-x

Field-driven attosecond charge dynamics in germanium; Inzani G., Adamska L., Eskandari-asl A., Di Palo N., Dolso G.L., Moio B., D’Onofrio L.J., Lamperti A., Molle A., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Avella A., Lucchini M.; Nature Photonics (2023) 10.1038/s41566-023-01274-1

Vibrational response functions for multidimensional electronic spectroscopy: From Duschinsky rotations to multimode squeezed coherent states; Quintela Rodriguez F.E., Troiani F.; The Journal of chemical physics (159); (2023) 10.1063/5.0162594

An Electron Computational Ghost Imaging Setup for High Resolution Imaging; Rosi P., Viani L., Rotunno E., Tavabi A., Borkowski R.E.D., Frabboni S., Grillo V.; Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada (29); 336-338 (2023) 10.1093/micmic/ozad067.157

A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules; Daidone I., Foffi R., Amadei A., Zanetti-Polzi L.; The Journal of chemical physics (159); (2023) 10.1063/5.0157505

Defect-Engineering by Solvent Mediated Mild Oxidation as a Tool to Induce Exchange Bias in Metal Doped Ferrites; Muzzi B., Albino M., Petrecca M., Innocenti C., de Julián Fernández C., Bertoni G., Ibarra M.R., Christensen M., Avdeev M., Marquina C., Sangregorio C.; Small Methods (2023) 10.1002/smtd.202300647

Magnetism-Induced Band-Edge Shift as the Mechanism for Magnetoconductance in CrPS4 Transistors; Wu F., Gibertini M., Watanabe K., Taniguchi T., Gutiérrez-Lezama I., Ubrig N., Morpurgo A.F.; Nano Letters (2023) 10.1021/acs.nanolett.3c02274

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals; Linscott E.B., Colonna N., De Gennaro R., Nguyen N.L., Borghi G., Ferretti A., Dabo I., Marzari N.; Journal of Chemical Theory and Computation (2023) 10.1021/acs.jctc.3c00652

Author Correction: Multiple antiferromagnetic phases and magnetic anisotropy in exfoliated CrBr3 multilayers (Nature Communications, (2023), 14, 1, (4969), 10.1038/s41467-023-40723-x); Yao F., Multian V., Wang Z., Ubrig N., Teyssier J., Wu F., Giannini E., Gibertini M., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Communications (14); 5771 (2023) 10.1038/s41467-023-41613-y

Deconstructing Electrostatics of Functionalized Metal Nanoparticles from Molecular Dynamics Simulations; Bini M., Tozzini V., Brancolini G.; Journal of Physical Chemistry B (127); 8226-8241 (2023) 10.1021/acs.jpcb.3c03481

Measuring the Ultrafast Dynamic of Nanoparticle Temperature on the fs-to-ps Time Scale; Bisio F., Ferrera M., Sygletou M., Magnozzi M., Catone D., O'keeffe P., Paladini A., Toschi F., Benedetti S., Pierantozzi G.M., Cucini R., Di Bona A., Torelli P., Della Valle G., Panaccione G., Canepa M.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 140-141 (2023)

A TD-DFT Approach for Polariton Chemistry: Polaritonic and Charge Transfer Excitations in Azobenzene Photoisomerization; Cascino L., Corni S., D'Agostino S.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 1379-1380 (2023)

Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations; Jana S., Śmiga S., Constantin L.A., Samal P.; The journal of physical chemistry. A (127); 8685-8697 (2023) 10.1021/acs.jpca.3c03976

Unveiling the Thermoelectric Performances of Zn1−xFexSe Nanoparticles Prepared by the Hydrothermal Method; Isram M., Demontis V., Magrin Maffei R., Abbas Khan N., di Bona A., Benedetti S., Amin N., Mahmood K., Rossella F.; Inorganics (11); 286 (2023) 10.3390/inorganics11070286

A Perspective on Sustainable Computational Chemistry Software Development and Integration; Di Felice R., Mayes M.L., Richard R.M., Williams-Young D.B., Chan G.K.L., de Jong W.A., Govind N., Head-Gordon M., Hermes M.R., Kowalski K., Li X., Lischka H., Mueller K.T., Mutlu E., Niklasson A.M.N., Pederson M.R., Peng B., Shepard R., Valeev E.F., van Schilfgaarde M., Vlaisavljevich B., Windus T.L., Xantheas S.S., Zhang X., Zimmerman P.M.; Journal of Chemical Theory and Computation (2023) 10.1021/acs.jctc.3c00419

Light-Driven Attosecond Photoinjection in Germanium; Inzani G., Adamska L., Eskandari-Asl A., Di Palo N., Dolso G.L., Moio B., D'Onofrio L.J., Lamperti A., Molle A., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Avella A., Lucchini M.; 2023 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2023 (2023) 10.1109/CLEO/EUROPE-EQEC57999.2023.10232008

Enhanced connectivity and mobility in liquid water: Implications for the high density liquid structure and its onset; Faccio C., Di Fonte N., Daidone I., Zanetti-Polzi L.; Journal of Molecular Liquids (392); 123425 (2023) 10.1016/j.molliq.2023.123425

Quantum estimation and remote charge sensing with a hole-spin qubit in silicon; Forghieri G., Secchi A., Bertoni A., Bordone P., Troiani F.; Physical Review Research (5); 043159 (2023) 10.1103/PhysRevResearch.5.043159

Distinguishing Different Stackings in Layered Materials via Luminescence Spectroscopy; Zanfrognini M., Plaud A., Stenger I., Fossard F., Sponza L., Schué L., Paleari F., Molinari E., Varsano D., Wirtz L., Ducastelle F., Loiseau A., Barjon J.; Physical review letters (131); 206902 (2023) 10.1103/PhysRevLett.131.206902

Strong magnetic proximity effect in van der Waals heterostructures driven by direct hybridization; Cardoso C., Costa A.T., Macdonald A.H., Fernández-Rossier J.; Physical Review B (108); 184423 (2023) 10.1103/PhysRevB.108.184423

Reduced SnO2-x for Low Power NO2 Gas Sensors: From First Principles Simulations to Sensing Performance; Krik S., Fabbri B., Valt M., Spagnoli E., Ciocca M., Casotti D., Della Ciana M., Vanzetti L., Orlando A., Petti L., Gaiardo A., Guidi V.; Proceedings of IEEE Sensors (2023) 10.1109/SENSORS56945.2023.10325180

Erratum to: Tribological behaviour of Ti3C2T x nano-sheets: Substrate-dependent tribo-chemical reactions (Friction, (2023), 11, 8, (1522-1533), 10.1007/s40544-022-0709-3); Rota A., Bellina N., Wang B., Rosenkranz A.; Friction (2023) 10.1007/s40544-023-0859-y

Excited-state normal-mode analysis: The case of porphyrins; Rukin P., Prezzi D., Rozzi C.A.; Journal of Chemical Physics (159); 244103 (2023) 10.1063/5.0173336

Excitonic Effects in Energy-Loss Spectra of Freestanding Graphene; Guandalini A., Senga R., Lin Y.C., Suenaga K., Ferretti A., Varsano D., Recchia A., Barone P., Mauri F., Pichler T., Kramberger C.; Nano Letters (2023) 10.1021/acs.nanolett.3c03863

Quenching of the band gap of two-dimensional semiconductors with a perpendicular electric field; Domaretskiy D., Philippi M., Gibertini M., Ubrig N., Gutierrez-Lezama I., Morpurgo A.F.; 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 709-710 (2023) 10.1109/NMDC57951.2023.10343880

Comparative Analysis of InAs Adjacent Nanowire Sensors for Humidity and NO2 Detection; Musaev E., Demontis V., Rossella F., Zannier V., Sorba L., Baratto C.; 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 461-462 (2023) 10.1109/NMDC57951.2023.10343834

Semiconductor Nanowires for Polarization Control in Integrated Waveguides; Vitali V., Fontana A., Demontis V., Prete D., Salamon A., Bellani V., Cristiani I., Rossella F., Lacava C.; 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 129 (2023) 10.1109/NMDC57951.2023.10343868

Calibration-Free and High-Sensitivity Microwave Detectors Based on InAs/InP Nanowire Double Quantum Dots; Cornia S., Demontis V., Zannier V., Sorba L., Ghirri A., Rossella F., Affronte M.; 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 674-675 (2023) 10.1109/NMDC57951.2023.10343691

InAs nanowire field-effect transistors: temperature dependence of electrical properties and digital electronic applications; Viscardi L., Faella E., Intonti K., Giubileo F., Demontis V., Prete D., Zannier V., Sorba L., Rossella F., Romano P., Di Bartolomeo A.; 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 773-777 (2023) 10.1109/NMDC57951.2023.10343861

Spin-Resolved Magneto-Tunneling and Giant Anisotropic g-Factor in Broken Gap InAs-GaSb Core-Shell Nanowires; Clericò V., Wójcik P., Vezzosi A., Rocci M., Demontis V., Zannier V., Díaz-Fernández A., Díaz E., Bellani V., Domínguez-Adame F., Diez E., Sorba L., Bertoni A., Goldoni G., Rossella F.; Nano Letters (2023) 10.1021/acs.nanolett.3c02559

Peeking into the Femtosecond Hot-Carrier Dynamics Reveals Unexpected Mechanisms in Plasmonic Photocatalysis; Dall’Osto G., Marsili M., Vanzan M., Toffoli D., Stener M., Corni S., Coccia E.; Journal of the American Chemical Society (2023) 10.1021/jacs.3c12470

Revealing the Interplay between Hybrid and Charge-Transfer States in Polariton Chemistry; Cascino L., Corni S., D’Agostino S.; Journal of Physical Chemistry C (2023) 10.1021/acs.jpcc.3c06208

Ion Channels and Ionotropic Receptors in Astrocytes: Physiological Functions and Alterations in Alzheimer’s Disease and Glioblastoma; Lia A., Di Spiezio A., Vitalini L., Tore M., Puja G., Losi G.; Life (13); 2038 (2023) 10.3390/life13102038

An Electron Computational Ghost Imaging Setup for High Resolution Imaging; Rosi P., Viani L., Rotunno E., Tavabi A., Dunin Borkowski R.E., Frabboni S., Grillo V.; Microscopy and Microanalysis (29); 336-338 (2023) 10.1093/micmic/ozad067.157

Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles; Maji R., Contreras-García J., Luppi E., Degoli E.; Physica Status Solidi (B) Basic Research (259); 2100377 (2022) 10.1002/pssb.202100377

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Publications S3@NANO