All publications
Publications NEST@NANO
Publications S3@NANO
S3 Publications 2002-2010

 Publications S3@NANO

 

 

year:
found 1405 publications
1 < page 2/8 >3

  • Machine-Learning-Assisted Manipulation and Readout of Molecular Spin Qubits; Bonizzoni C., Tincani M., Santanni F., Affronte M.; Physical Review Applied (18); 064074 (2022) 10.1103/PhysRevApplied.18.064074

  • Band offset engineering at C2N/MSe2 (M ¼ Mo, W) interfaces†; Slassi A.; RSC Advances (12); 12068-12077 (2022) 10.1039/d2ra00847e

  • Intrinsic Control of Interlayer Exciton Generation in Van der Waals Materials via Janus Layers; Torun E., Paleari F., Milošević M.V., Wirtz L., Sevik C.; Nano Letters (2022) 10.1021/acs.nanolett.2c04724

  • Modulation of NMDA receptor activity by CR4056, an imidazoline-2 receptor ligand with analgesic properties; Puja G., Losi G., Rovati L., Lanza M., Caselli G., Bardoni R.; Frontiers in Pain Research (3); 1003068 (2022) 10.3389/fpain.2022.1003068

  • The role of substrate materials on stabilization of CdO, 2CdO·CdSO4 and 2CdS·2CdO·CdSO4 from CdS powder film annealed in air; Casotti D., Gaiardo A., Valt M., Fabbri B., Cruciani G., Guidi V.; Materials Chemistry and Physics (257); 123251 (2021) 10.1016/j.matchemphys.2020.123251

  • Intermolecular conical intersections in molecular aggregates; De Sio A., Sommer E., Nguyen X.T., Groß L., Popović D., Nebgen B.T., Fernandez-Alberti S., Pittalis S., Rozzi C.A., Molinari E., Mena-Osteritz E., Bäuerle P., Frauenheim T., Tretiak S., Lienau C.; Nature Nanotechnology (16); 63-68 (2021) 10.1038/s41565-020-00791-2

  • Graphite-epoxy composites for fuel-cell bipolar plates: Wet vs dry mixing and role of the design of experiment in the optimization of molding parameters; Roncaglia F., Romagnoli M., Incudini S., Santini E., Imperato M., Spinelli L., di Bona A., Biagi R., Mucci A.; International Journal of Hydrogen Energy (46); 4407-4416 (2021) 10.1016/j.ijhydene.2020.10.272

  • Understanding the origin of magneto-crystalline anisotropy in pure and Fe/Si substituted SmCo5; Chouhan R.K., Pathak A.K., Paudyal D.; Journal of Magnetism and Magnetic Materials (522); 167549 (2021) 10.1016/j.jmmm.2020.167549

  • Ab initio study of oxygen segregation in silicon grain boundaries: The role of strain and vacancies; Maji R., Luppi E., Capron N., Degoli E.; Acta Materialia (204); 116477 (2021) 10.1016/j.actamat.2020.11.019

  • Atomistic simulations of gold surface functionalization for nanoscale biosensors applications; Dutta S., Bellucci L., Agostini M., Gagliardi M., Corni S., Cecchini M., Brancolini G.; Nanotechnology (32); 095702 (2021) 10.1088/1361-6528/abc6dc

  • Evaluating the use of graphene electrodes in sub-micrometric, high-frequency n-type organic transistors; Chianese F., Candini A., Lumetti S., Mishra N., Coletti C., Affronte M., Cassinese A.; Synthetic Metals (273); 116683 (2021) 10.1016/j.synthmet.2020.116683

  • Disclosing the interaction of gold nanoparticles with aβ(1–40) monomers through replica exchange molecular dynamics simulations; Tavanti F., Pedone A., Menziani M.C.; International Journal of Molecular Sciences (22); 1-12 26 (2021) 10.3390/ijms22010026

  • Transport efficiency of continuous-time quantum walks on graphs; Razzoli L., Paris M.G.A., Bordone P.; Entropy (23); 1-25 85 (2021) 10.3390/e23010085

  • Antibacterial effect of stainless steel surfaces treated with a nanotechnological coating approved for food contact; Di Cerbo A., Mescola A., Rosace G., Stocchi R., Rossi G., Alessandrini A., Preziuso S., Scarano A., Rea S., Loschi A.R., Sabia C.; Microorganisms (9); 1-18 248 (2021) 10.3390/microorganisms9020248

  • Reducing p-type Schottky contact barrier in metal/ZnO heterostructure through Ni-doping; El Haimeur A., Slassi A., Pershin A., Cornil D., Makha M., Blanco E., Dominguez M., Bakkali H.; Applied Surface Science (545); 149023 (2021) 10.1016/j.apsusc.2021.149023

  • Proline isomerization effects in the amyloidogenic protein β2-microglobulin; Maschio M.C., Fregoni J., Molteni C., Corni S.; Physical chemistry chemical physics : PCCP (23); 356-367 (2021) 10.1039/d0cp04780e

  • Magnetic response and electronic states of well defined Graphene/Fe/Ir(111) heterostructure; Cardoso C., Avvisati G., Gargiani P., Sbroscia M., Jagadeesh M.S., Mariani C., Leon D.A., Varsano D., Ferretti A., Betti M.G.; Physical Review Materials (5); 014405 (2021) 10.1103/PhysRevMaterials.5.014405

  • Magnetic 3d adatoms on free-standing and Ni(111)-supported graphene; Ellinger F., Franchini C., Bellini V.; Physical Review Materials (5); 014406 (2021) 10.1103/PhysRevMaterials.5.014406

  • Impact of experimental parameters on cell–cell force spectroscopy signature; Oropesa-Nuñez R., Mescola A., Vassalli M., Canale C.; Sensors (Switzerland) (21); 1-11 1069 (2021) 10.3390/s21041069

  • Enhanced Osteogenic Differentiation of Human Bone Marrow-Derived Mesenchymal Stem Cells by a Hybrid Hydroxylapatite/Collagen Scaffold; Mazzoni E., Mazziotta C., Iaquinta M.R., Lanzillotti C., Fortini F., D’Agostino A., Trevisiol L., Nocini R., Barbanti-Brodano G., Mescola A., Alessandrini A., Tognon M., Martini F.; Frontiers in Cell and Developmental Biology (8); 610570 (2021) 10.3389/fcell.2020.610570

  • In situ decoration of laser-scribed graphene with TiO2 nanoparticles for scalable high-performance micro-supercapacitors; Fornasini L., Scaravonati S., Magnani G., Morenghi A., Sidoli M., Bersani D., Bertoni G., Aversa L., Verucchi R., Riccò M., Lottici P.P., Pontiroli D.; Carbon (176); 296-306 (2021) 10.1016/j.carbon.2021.01.129

  • Challenges in Controlled Thermal Deposition of Organic Diradicals; Junghoefer T., Gallagher N.M., Kolanji K., Giangrisostomi E., Ovsyannikov R., Chassé T., Baumgarten M., Rajca A., Calzolari A., Casu M.B.; Chemistry of Materials (33); 2019-2028 (2021) 10.1021/acs.chemmater.0c03880

  • Epigenetics and communication mechanisms in microglia activation with a view on technological approaches; Petralla S., De Chirico F., Miti A., Tartagni O., Massenzio F., Poeta E., Virgili M., Zuccheri G., Monti B.; Biomolecules (11); 1-29 306 (2021) 10.3390/biom11020306

  • High spatial and energy resolution electron energy loss spectroscopy of the magnetic and electric excitations in plasmonic nanorod oligomers; Pakeltis G., Rotunno E., Khorassani S., Garfinkel D.A., Collette R., West C.A., Retterer S.T., Idrobo J.C., Masiello D.J., Rack P.D.; Optics Express (29); 4661-4671 (2021) 10.1364/OE.416046

  • Quantum optimal control with quantum computers: A hybrid algorithm featuring machine learning optimization; Castaldo D., Rosa M., Corni S.; Physical Review A (103); 022613 (2021) 10.1103/PhysRevA.103.022613

  • Photoluminescence emission induced by localized states in halide-passivated colloidal two-dimensional WS2nanoflakes; Mastria R., Loiudice A., Vávra J., Nobile C., Scarfiello R., Cozzoli P.D., Kovtun A., Liscio A., Sestu N., Marongiu D., Quochi F., Buonsanti R., Saba M., Calzolari A., Rizzo A.; Journal of Materials Chemistry C (9); 2398-2407 (2021) 10.1039/d0tc05285j

  • Correct structural phase stability of fes2, tio2, and mno2 from a semilocal density functional; Patra B., Jana S., Constantin L.A., Samal P.; Journal of Physical Chemistry C (125); 4284-4291 (2021) 10.1021/acs.jpcc.0c11380

  • Anisotropy of the spin-orbit coupling driven by a magnetic field in InAs nanowires; Wójcik P., Bertoni A., Goldoni G.; Physical Review B (103); 085434 (2021) 10.1103/PhysRevB.103.085434

  • Experimental Demonstration of an Electrostatic Orbital Angular Momentum Sorter for Electron Beams; Tavabi A.H., Rosi P., Rotunno E., Roncaglia A., Belsito L., Frabboni S., Pozzi G., Gazzadi G.C., Lu P.H., Nijland R., Ghosh M., Tiemeijer P., Karimi E., Dunin-Borkowski R.E., Grillo V.; Physical Review Letters (126); 094802 (2021) 10.1103/PhysRevLett.126.094802

  • Hyperbolic Metamaterials with Extreme Mechanical Hardness; Calzolari A., Catellani A., Buongiorno Nardelli M., Fornari M.; Advanced Optical Materials (9); 2001904 (2021) 10.1002/adom.202001904

  • A Fully Integrated Arduino-Based System for the Application of Stretching Stimuli to Living Cells and Their Time-Lapse Observation: A Do-It-Yourself Biology Approach; Ragazzini G., Guerzoni J., Mescola A., Di Rosa D., Corsi L., Alessandrini A.; Annals of Biomedical Engineering (49); 2243-2259 (2021) 10.1007/s10439-021-02758-3

  • Narrowing of d bands of FeCo layers intercalated under graphene; Pacilè D., Cardoso C., Avvisati G., Vobornik I., Mariani C., Leon D.A., Bonfà P., Varsano D., Ferretti A., Betti M.G.; Applied Physics Letters (118); 121602 (2021) 10.1063/5.0047266

  • OBP-functionalized/hybrid superparamagnetic nanoparticles forCandida albicanstreatment; Riboni N., Spadini C., Cabassi C.S., Bianchi F., Grolli S., Conti V., Ramoni R., Casoli F., Nasi L., de Julián Fernández C., Luches P., Careri M.; RSC Advances (11); 11256-11265 (2021) 10.1039/d1ra01112j

  • Molecular dynamics simulations of a catalytic multivalent peptide–nanoparticle complex; Dutta S., Corni S., Brancolini G.; International Journal of Molecular Sciences (22); 3624 (2021) 10.3390/ijms22073624

  • Green Fabrication of (6,5)Carbon Nanotube/Protein Transistor Endowed with Specific Recognition; Berto M., Di Giosia M., Giordani M., Sensi M., Valle F., Alessandrini A., Menozzi C., Cantelli A., Gazzadi G.C., Zerbetto F., Calvaresi M., Biscarini F., Bortolotti C.A.; Advanced Electronic Materials (7); 2001114 (2021) 10.1002/aelm.202001114

  • Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons; Guido C.A., Rotunno E., Zanfrognini M., Corni S., Grillo V.; Journal of Chemical Theory and Computation (17); 2364-2373 (2021) 10.1021/acs.jctc.1c00045

  • Selective switching of multiple plexcitons in colloidal materials: Directing the energy flow at the nanoscale; Peruffo N., Gil G., Corni S., Mancin F., Collini E.; Nanoscale (13); 6005-6015 (2021) 10.1039/d1nr00775k

  • Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals; Sarcinella F., Fabiano E., Constantin L.A., Della Sala F.; Physical Review B (103); 155127 (2021) 10.1103/PhysRevB.103.155127

  • Study of the rate-determining step of Rh catalyzed CO2 reduction: Insight on the hydrogen assisted molecular dissociation; Vanzan M., Marsili M., Corni S.; Catalysts (11); 538 (2021) 10.3390/catal11050538

  • From folding to function: Complex macromolecular reactions unraveled one-by-one with optical tweezers; Heidarsson P.O., Cecconi C.; Essays in Biochemistry (65); 129-142 (2021) 10.1042/EBC20200024

  • Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study; Mantela M., Morphis A., Lambropoulos K., Simserides C., Di Felice R.; Journal of Physical Chemistry B (125); 3986-4003 (2021) 10.1021/acs.jpcb.0c11489

  • Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach; Guandalini A., Cocchi C., Pittalis S., Ruini A., Rozzi C.A.; Physical Chemistry Chemical Physics (23); 10059-10069 (2021) 10.1039/d0cp04958a

  • Ab initio modeling and experimental investigation of Fe2 P by DFT and spin spectroscopies; Bonfà P., Isah M.M., Frandsen B.A., Gibson E.J., Brück E., Onuorah I.J., De Renzi R., Allodi G.; Physical Review Materials (5); 044411 (2021) 10.1103/PhysRevMaterials.5.044411

  • Tuning proton transfer thermodynamics in SARS-CoV-2 main protease: Implications for catalysis and inhibitor design; Zanetti-Polzi L., Smith M.D., Chipot C., Gumbart J.C., Lynch D.L., Pavlova A., Smith J.C., Daidone I.; Journal of Physical Chemistry Letters (12); 4195-4202 (2021) 10.1021/acs.jpclett.1c00425

  • Arbitrary conformal transformations of wave functions; Ruffato G., Rotunno E., Giberti L.M.C., Grillo V.; Physical Review Applied (15); 054028 (2021) 10.1103/PhysRevApplied.15.054028

  • Electronic-structure methods for materials design; Marzari N., Ferretti A., Wolverton C.; Nature Materials (20); 736-749 (2021) 10.1038/s41563-021-01013-3

  • Quantitative Ultrafast Electron-Temperature Dynamics in Photo-Excited Au Nanoparticles; Sygletou M., Benedetti S., Ferrera M., Pierantozzi G.M., Cucini R., Della Valle G., Carrara P., De Vita A., di Bona A., Torelli P., Catone D., Panaccione G., Canepa M., Bisio F.; Small (17); 2100050 (2021) 10.1002/smll.202100050

  • Effect of pressure on the properties of a NASICON Li1.3Al0.3Ti1.7(PO4)3nanofiber solid electrolyte; La Monaca A., Girard G., Savoie S., Demers H., Bertoni G., Krachkovskiy S., Marras S., Mugnaioli E., Gemmi M., Benetti D., Vijh A., Rosei F., Paolella A.; Journal of Materials Chemistry A (9); 13688-13696 (2021) 10.1039/d1ta01143j

  • Roadmap on bio-nano-photonics; Herkert E., Slesiona N., Recchia M.E., Deckert T., Garcia-Parajo M.F., Fantuzzi E.M., Pruccoli A., Ragupathy I.C., Gudavičius D., Rigneault H., Majer J., Zumbusch A., Munger E., Brasselet S., Jones A.T., Watson P., Boppart S.A., Singh V., Borkar S., Quintela Rodriguez F.E., Langbein W., Petropoulos V., van Hulst N.F., Maiuri M., Cerullo G., Brida D., Troiani F., Rozzi C.A., Molinari E., Vengris M., Borri P.; Journal of Optics (United Kingdom) (23); 073001 (2021) 10.1088/2040-8986/abff94

  • Ensemble Reduced Density Matrix Functional Theory for Excited States and Hierarchical Generalization of Pauli's Exclusion Principle; Schilling C., Pittalis S.; Physical Review Letters (127); 023001 (2021) 10.1103/PhysRevLett.127.023001

  • Black Phosphorus n-Type Doping by Cu: A Microscopic Surface Investigation; Kumar A., Telesio F., Prezzi D., Cardoso C., Catellani A., Forti S., Coletti C., Serrano−Ruiz M., Peruzzini M., Beltram F., Heun S.; Journal of Physical Chemistry C (125); 13477-13484 (2021) 10.1021/acs.jpcc.1c03531

  • Dielectric Engineering Boosts the Efficiency of Carbon Nanotube Photodiodes; Senger M.J., Kefayati A., Bertoni A., Perebeinos V., Minot E.D.; ACS Nano (15); 10472-10479 (2021) 10.1021/acsnano.1c02940

  • Transmission Spectroscopy of Molecular Spin Ensembles in the Dispersive Regime; Bonizzoni C., Ghirri A., Nakazawa S., Nishida S., Sato K., Takui T., Affronte M.; Advanced Quantum Technologies (4); 2100039 (2021) 10.1002/qute.202100039

  • Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids; Jana S., Behera S.K., Śmiga S., Constantin L.A., Samal P.; New Journal of Physics (23); 063007 (2021) 10.1088/1367-2630/abfd4d

  • Accurate density functional made more versatile; Jana S., Behera S.K., Śmiga S., Constantin L.A., Samal P.; Journal of Chemical Physics (155); 024103 (2021) 10.1063/5.0051331

  • Alignment of electron optical beam shaping elements using a convolutional neural network; Rotunno E., Tavabi A.H., Rosi P., Frabboni S., Tiemeijer P., Dunin-Borkowski R.E., Grillo V.; Ultramicroscopy (228); 113338 (2021) 10.1016/j.ultramic.2021.113338

  • Focused ion beam fabrication of Janus bimetallic cylinders acting as drift tube Zernike phase plates for electron microscopy; Rosi P., Gazzadi G.C., Frabboni S., Grillo V., Tavabi A.H., Dunin-Borkowski R.E., Pozzi G.; Journal of Applied Physics (130); 024507 (2021) 10.1063/5.0050055

  • Interacting holes in Si and Ge double quantum dots: From a multiband approach to an effective-spin picture; Secchi A., Bellentani L., Bertoni A., Troiani F.; Physical Review B (104); 035302 (2021) 10.1103/PhysRevB.104.035302

  • The 2021 Magnonics Roadmap; Barman A., Gubbiotti G., Ladak S., Adeyeye A.O., Krawczyk M., Grafe J., Adelmann C., Cotofana S., Naeemi A., Vasyuchka V.I., Hillebrands B., Nikitov S.A., Yu H., Grundler D., Sadovnikov A.V., Grachev A.A., Sheshukova S.E., Duquesne J.Y., Marangolo M., Csaba G., Porod W., Demidov V.E., Urazhdin S., Demokritov S.O., Albisetti E., Petti D., Bertacco R., Schultheiss H., Kruglyak V.V., Poimanov V.D., Sahoo S., Sinha J., Yang H., Münzenberg M., Moriyama T., Mizukami S., Landeros P., Gallardo R.A., Carlotti G., Kim J.V., Stamps R.L., Camley R.E., Rana B., Otani Y., Yu W., Yu T., Bauer G.E.W., Back C., Uhrig G.S., Dobrovolskiy O.V., Budinska B., Qin H., Van Dijken S., Chumak A.V., Khitun A., Nikonov D.E., Young I.A., Zingsem B.W., Winklhofer M.; Journal of Physics Condensed Matter (33); 413001 (2021) 10.1088/1361-648X/abec1a

  • Multiple exciton generation in isolated and interacting silicon nanocrystals; Marri I., Ossicini S.; Nanoscale (13); 12119-12142 (2021) 10.1039/d1nr01747k

  • Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory; Fregoni J., Haugland T.S., Pipolo S., Giovannini T., Koch H., Corni S.; Nano Letters (21); 6664-6670 (2021) 10.1021/acs.nanolett.1c02162

  • Role of topology in determining the precision of a finite thermometer; Candeloro A., Razzoli L., Bordone P., Paris M.G.A.; Physical Review E (104); 014136 (2021) 10.1103/PhysRevE.104.014136

  • Density functional approach to the band gaps of finite and periodic two-dimensional systems; Guandalini A., Ruini A., Räsänen E., Rozzi C.A., Pittalis S.; Physical Review B (104); 085110 (2021) 10.1103/PhysRevB.104.085110

  • Computational insight on the interaction of common blood proteins with gold nanoparticles; Tavanti F., Menziani M.C.; International Journal of Molecular Sciences (22); 8722 (2021) 10.3390/ijms22168722

  • Time-course study of the antibacterial activity of an amorphous SiOxCyHz coating certified for food contact; Di Cerbo A., Rosace G., Rea S., Stocchi R., Morales-Medina J.C., Canton R., Mescola A., Condò C., Loschi A.R., Sabia C.; Antibiotics (10); 901 (2021) 10.3390/antibiotics10080901

  • Gold nanoparticle assisted synthesis of MoS2monolayers by chemical vapor deposition; Seravalli L., Bosi M., Fiorenza P., Panasci S.E., Orsi D., Rotunno E., Cristofolini L., Rossi F., Giannazzo F., Fabbri F.; Nanoscale Advances (3); 4826-4833 (2021) 10.1039/d1na00367d

  • Surface nano-patterning for the bottom-up growth of iii-v semiconductor nanowire ordered arrays; Demontis V., Zannier V., Sorba L., Rossella F.; Nanomaterials (11); 2079 (2021) 10.3390/nano11082079

  • Double excitations in molecules from ensemble density functionals: Theory and approximations; Gould T., Kronik L., Pittalis S.; Physical Review A (104); 022803 (2021) 10.1103/PhysRevA.104.022803

  • Exploring the crystallization path of lithium disilicate through metadynamics simulations; Lodesani F., Tavanti F., Menziani M.C., Maeda K., Takato Y., Urata S., Pedone A.; Physical Review Materials (5); 075602 (2021) 10.1103/PhysRevMaterials.5.075602

  • From radical to triradical thin film processes: The Blatter radical derivatives; Calzolari A., Rajca A., Casu M.B.; Journal of Materials Chemistry C (9); 10787-10793 (2021) 10.1039/d1tc01541a

  • Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability; Mantela M., Simserides C., Di Felice R.; Materials (14); 4930 (2021) 10.3390/ma14174930

  • Single-particle cryo-EM: Alternative schemes to improve dose efficiency; Zhang Y., Lu P.H., Rotunno E., Troiani F., van Schayck J.P., Tavabi A.H., Dunin-Borkowski R.E., Grillo V., Peters P.J., Ravelli R.B.G.; Journal of Synchrotron Radiation (28); 1343-1356 (2021) 10.1107/S1600577521007931

  • Zno thin films growth optimization for piezoelectric application; Polewczyk V., Magrin Maffei R., Vinai G., Lo Cicero M., Prato S., Capaldo P., Dal Zilio S., Di Bona A., Paolicelli G., Mescola A., D’addato S., Torelli P., Benedetti S.; Sensors (21); 6114 (2021) 10.3390/s21186114

  • Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution; Zanetti-Polzi L., Amadei A., Daidone I.; Journal of Chemical Physics (155); 104502 (2021) 10.1063/5.0061659

  • Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids; Jana S., Myneni H., Śmiga S., Constantin L.A., Samal P.; Journal of Chemical Physics (155); 114102 (2021) 10.1063/5.0060538

  • Ag/mgo nanoparticles via gas aggregation nanocluster source for perovskite solar cell engineering; Caleffi M., Mariani P., Bertoni G., Paolicelli G., Pasquali L., Agresti A., Pescetelli S., Carlo A.D., De Renzi V., D’addato S.; Materials (14); 5507 (2021) 10.3390/ma14195507

  • Frequency dependence in made simple using a multipole approximation; Leon D.A., Cardoso C., Chiarotti T., Varsano D., Molinari E., Ferretti A.; Physical Review B (104); 115157 (2021) 10.1103/PhysRevB.104.115157

  • Time-Resolved Excited-State Analysis of Molecular Electron Dynamics by TDDFT and Bethe-Salpeter Equation Formalisms; Grobas Illobre P., Marsili M., Corni S., Stener M., Toffoli D., Coccia E.; Journal of Chemical Theory and Computation (17); 6314-6329 (2021) 10.1021/acs.jctc.1c00211

  • The role of selenium vacancies in the enhancement of electrocatalytic activity of CoNiSe2 for the oxygen evolution reaction; El Jaouhari A., Slassi A., Zhang B., Pershin A., Liu W., Cornil D., Liu X., Zhu J.; Journal of Power Sources (514); 230596 (2021) 10.1016/j.jpowsour.2021.230596

  • Measurement of multipole phases in optics and electron microscopy by means of conformal transformations; Ruffato G., Rotunno E., Grillo V.; Nuovo Cimento della Societa Italiana di Fisica C (44); 114 (2021) 10.1393/ncc/i2021-21114-6

  • Nonlocal exchange and correlation energy functionals using the Yukawa potential as ingredient: Application to the linear response of the uniform electron gas; Constantin L.A., Sarcinella F., Fabiano E., Della Sala F.; Physical Review B (104); 165114 (2021) 10.1103/PhysRevB.104.165114

  • Graphene Confers Ultralow Friction on Nanogear Cogs; Mescola A., Paolicelli G., Ogilvie S.P., Guarino R., McHugh J.G., Rota A., Iacob E., Gnecco E., Valeri S., Pugno N.M., Gadhamshetty V., Rahman M.M., Ajayan P., Dalton A.B., Tripathi M.; Small (17); 2104487 (2021) 10.1002/smll.202104487

  • A sorter for electrons based on magnetic elements; Pozzi G., Rosi P., Tavabi A.H., Karimi E., Dunin-Borkowski R.E., Grillo V.; Ultramicroscopy (231); 113287 (2021) 10.1016/j.ultramic.2021.113287

  • High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys; Adetunji B.I., Supka A., Fornari M., Calzolari A.; IEEE Access (9); 141121-141130 (2021) 10.1109/ACCESS.2021.3119898

  • Multipole-phase division multiplexing; Ruffato G., Grillo V., Romanato F.; Optics Express (29); 38095-38108 (2021) 10.1364/OE.438898

  • The role of Si vacancies in the segregation of O, C, and N at silicon grain boundaries: An ab initio study; Maji R., Contreras-García J., Capron N., Degoli E., Luppi E.; Journal of Chemical Physics (155); 174704 (2021) 10.1063/5.0067252

  • Inter- And intraband Coulomb interactions between holes in silicon nanostructures; Secchi A., Bellentani L., Bertoni A., Troiani F.; Physical Review B (104); 205409 (2021) 10.1103/PhysRevB.104.205409

  • Biogenic synthesis and characterization of antioxidant and antimicrobial silver nanoparticles using flower extract of couroupita guianensis aubl.; Singh R., Hano C., Tavanti F., Sharma B.; Materials (14); 6854 (2021) 10.3390/ma14226854

  • Magnetization dependent tunneling conductance of ferromagnetic barriers; Wang Z., Gutiérrez-Lezama I., Dumcenco D., Ubrig N., Taniguchi T., Watanabe K., Giannini E., Gibertini M., Morpurgo A.F.; Nature Communications (12); 6659 (2021) 10.1038/s41467-021-26973-7

  • Synthesis of electrospun NASICON Li1.5Al0.5Ge1.5(PO4)3 solid electrolyte nanofibers by control of germanium hydrolysis; la Monaca A., Girard G., Savoie S., Bertoni G., Krachkovskiy S., Vijh A., Pierini F., Rosei F., Paolella A.; Journal of the Electrochemical Society (168); A12 (2021) 10.1149/1945-7111/ac334a

  • Toward Hole-Spin Qubits in Si p -MOSFETs within a Planar CMOS Foundry Technology; Bellentani L., Bina M., Bonen S., Secchi A., Bertoni A., Voinigescu S.P., Padovani A., Larcher L., Troiani F.; Physical Review Applied (16); 054034 (2021) 10.1103/PhysRevApplied.16.054034

  • Quantum computing for classical problems: variational quantum eigensolver for activated processes; Pravatto P., Castaldo D., Gallina F., Fresch B., Corni S., Moro G.J.; New Journal of Physics (23); 123045 (2021) 10.1088/1367-2630/ac3ff9

  • The Gecko® Approach to Friction: A Novel Teaching Learning Sequence; Scorzoni C., Goldoni G., De Renzi V.; Challenges in Physics Education 273-285 (2021) 10.1007/978-3-030-78720-2_19

  • Measuring the temperature of plasmonic systems in ultrafast pump-probe experiments; Sygletou M., Ferrera M., Valle G.D., Magnozzi M., Catone D., O’keeffe P., Paladini A., Toschi F., Benedetti S., Torelli P., Mattera L., Canepa M., Bisio F.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 680-681 (2021)

  • Tribological response of laser-textured steel pins with low-dimensional micrometric patterns; Fiaschi G., Di Lauro M., Ballestrazzi A., Rota A., Biscarini F., Valeri S.; Tribology International (149); 105548 (2020) 10.1016/j.triboint.2019.01.007

  • Platinum carbonyl clusters decomposition on defective graphene surface; Gaboardi M., Tatti R., Bertoni G., Magnani G., Della Pergola R., Aversa L., Verucchi R., Pontiroli D., Riccò M.; Surface Science (691); 121499 (2020) 10.1016/j.susc.2019.121499

  • Monitoring water and oxygen splitting at graphene edges and folds: Insights into the lubricity of graphitic materials; Restuccia P., Ferrario M., Righi M.; Carbon (156); 93-103 (2020) 10.1016/j.carbon.2019.09.040

  • Design of electrostatic phase elements for sorting the orbital angular momentum of electrons; Pozzi G., Grillo V., Lu P.H., Tavabi A.H., Karimi E., Dunin-Borkowski R.E.; Ultramicroscopy (208); 112861 (2020) 10.1016/j.ultramic.2019.112861

  • Reduced cerium configurations in CeO2/Ag inverse catalysis; Righi G., Anderlini L., Magri R.; Materials Letters (261); 126935 (2020) 10.1016/j.matlet.2019.126935

  • Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene; Fregoni J., Granucci G., Persico M., Corni S.; Chem (6); 250-265 (2020) 10.1016/j.chempr.2019.11.001

  • Extremely Efficient Photocurrent Generation in Carbon Nanotube Photodiodes Enabled by a Strong Axial Electric Field; Mcculley D.R., Senger M.J., Bertoni A., Perebeinos V., Minot E.D.; Nano Letters (20); 433-440 (2020) 10.1021/acs.nanolett.9b04151

  • Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods; Palummo M., Berrios E., Varsano D., Giorgi G.; ACS Energy Letters 457-463 (2020) 10.1021/acsenergylett.9b02593

  • Full-field mode sorter using two optimized phase transformations for high-dimensional quantum cryptography; Fickler R., Bouchard F., Giese E., Grillo V., Leuchs G., Karimi E.; Journal of Optics (United Kingdom) (22); 024001 (2020) 10.1088/2040-8986/ab6303

  • Pressure-induced antiferromagnetic dome in the heavy-fermion Yb2Pd2In1-xSnx system; Lamura G., Onuorah I.J., Bonfà P., Sanna S., Shermadini Z., Khasanov R., Orain J.C., Baines C., Gastaldo F., Giovannini M., Čurlík I., Dzubinska A., Pristas G., Reiffers M., Martinelli A., Ritter C., Joseph B., Bauer E., De Renzi R., Shiroka T.; Physical Review B (101); 054410 (2020) 10.1103/PhysRevB.101.054410

  • Nickel addition to optimize the hydrogen storage performance of lithium intercalated fullerides; Aramini M., Magnani G., Pontiroli D., Milanese C., Girella A., Bertoni G., Gaboardi M., Zacchini S., Marini A., Riccò M.; Materials Research Bulletin (126); 110848 (2020) 10.1016/j.materresbull.2020.110848

  • Modulation of the magnetic properties of gold-spinel ferrite heterostructured nanocrystals; Fantechi E., Innocenti C., Bertoni G., Sangregorio C., Pineider F.; Nano Research (13); 785-794 (2020) 10.1007/s12274-020-2696-x

  • A monolayer transition-metal dichalcogenide as a topological excitonic insulator; Varsano D., Palummo M., Molinari E., Rontani M.; Nature Nanotechnology (15); 367-372 (2020) 10.1038/s41565-020-0650-4

  • Discovering the Influence of Lithium Loss on Garnet Li7La3Zr2O12Electrolyte Phase Stability; Paolella A., Zhu W., Bertoni G., Savoie S., Feng Z., Demers H., Gariepy V., Girard G., Rivard E., Delaporte N., Guerfi A., Lorrmann H., George C., Zaghib K.; ACS Applied Energy Materials (3); 3415-3424 (2020) 10.1021/acsaem.9b02401

  • Tailoring the plasmonic properties of metals: The case of substoichiometric titanium nitride; Catellani A., D'Amico P., Calzolari A.; Physical Review Materials (4); 015201 (2020) 10.1103/PhysRevMaterials.4.015201

  • Reproducibility in G0W0 calculations for solids; Rangel T., Del Ben M., Varsano D., Antonius G., Bruneval F., da Jornada F.H., van Setten M.J., Orhan O.K., O'Regan D.D., Canning A., Ferretti A., Marini A., Rignanese G.M., Deslippe J., Louie S.G., Neaton J.B.; Computer Physics Communications (255); 107242 (2020) 10.1016/j.cpc.2020.107242

  • Original design of a patterned multiferroic heterostructure for electrical control of the magnetic shape anisotropy; Polewczyk V., Vinai G., Motti F., Dal Zilio S., Capaldo P., Sygletou M., Benedetti S., Rossi G., Torelli P.; Journal of Magnetism and Magnetic Materials (507); 166816 (2020) 10.1016/j.jmmm.2020.166816

  • Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems; Tancogne-Dejean N., Oliveira M.J.T., Andrade X., Appel H., Borca C.H., Le Breton G., Buchholz F., Castro A., Corni S., Correa A.A., De Giovannini U., Delgado A., Eich F.G., Flick J., Gil G., Gomez A., Helbig N., Hübener H., Jestädt R., Jornet-Somoza J., Larsen A.H., Lebedeva I.V., Lüders M., Marques M.A.L., Ohlmann S.T., Pipolo S., Rampp M., Rozzi C.A., Strubbe D.A., Sato S.A., Schäfer C., Theophilou I., Welden A., Rubio A.; Journal of Chemical Physics (152); 124119 (2020) 10.1063/1.5142502

  • Vibrational spectral fingerprinting for chemical recognition of biominerals; Calzolari A., Pavan B., Curtarolo S., Buongiorno Nardelli M., Fornari M.; ChemPhysChem (21); 770-778 (2020) 10.1002/cphc.202000016

  • Continuous-time quantum walks on planar lattices and the role of the magnetic field; Razzoli L., Paris M.G.A., Bordone P.; Physical Review A (101); 032336 (2020) 10.1103/PhysRevA.101.032336

  • Quantum ESPRESSO toward the exascale; Giannozzi P., Baseggio O., Bonfà P., Brunato D., Car R., Carnimeo I., Cavazzoni C., De Gironcoli S., Delugas P., Ferrari Ruffino F., Ferretti A., Marzari N., Timrov I., Urru A., Baroni S.; Journal of Chemical Physics (152); 154105 (2020) 10.1063/5.0005082

  • Density-Driven Correlations in Ensemble Density Functional Theory: Insights from Simple Excitations in Atoms; Gould T., Pittalis S.; Australian Journal of Chemistry (73); 714-723 (2020) 10.1071/CH19504

  • An open quantum system theory for polarizable continuum models; Guido C.A., Rosa M., Cammi R., Corni S.; Journal of Chemical Physics (152); 174114 (2020) 10.1063/5.0003523

  • Toward an All-Ceramic Cathode–Electrolyte Interface with Low-Temperature Pressed NASICON Li1.5Al0.5Ge1.5(PO4)3 Electrolyte; Paolella A., Zhu W., Bertoni G., Perea A., Demers H., Savoie S., Girard G., Delaporte N., Guerfi A., Rumpel M., Lorrmann H., Demopoulos G.P., Zaghib K.; Advanced Materials Interfaces (7); 2000164 (2020) 10.1002/admi.202000164

  • Intrinsic edge excitons in two-dimensional MoS2; D'Amico P., Gibertini M., Prezzi D., Varsano D., Ferretti A., Marzari N., Molinari E.; Physical Review B (101); 161410 (2020) 10.1103/PhysRevB.101.161410

  • Dynamics and structural communication in the ternary complex of fully phosphorylated V2 vasopressin receptor, vasopressin, and β-arrestin 1; Bellucci L., Felline A., Fanelli F.; Biochimica et Biophysica Acta - Biomembranes (1862); 183355 (2020) 10.1016/j.bbamem.2020.183355

  • TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo; Nakano K., Attaccalite C., Barborini M., Capriotti L., Casula M., Coccia E., Dagrada M., Genovese C., Luo Y., Mazzola G., Zen A., Sorella S.; Journal of Chemical Physics (152); 204121 (2020) 10.1063/5.0005037

  • Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods; Marcheselli J., Chateau D., Lerouge F., Baldeck P., Andraud C., Parola S., Baroni S., Corni S., Garavelli M., Rivalta I.; Journal of Chemical Theory and Computation (16); 3807-3815 (2020) 10.1021/acs.jctc.0c00269

  • Magnetic Nanoparticles Coated with (R)-9-Acetoxystearic Acid for Biomedical Applications; Micheletti G., Boga C., Telese D., Cassani M.C., Boanini E., Nitti P., Ballarin B., Ghirri A., Barucca G., Rinaldi D.; ACS Omega (5); 12707-12715 (2020) 10.1021/acsomega.0c00163

  • Surface Reactivity of Ag-Modified Ceria to Hydrogen: A Combined Experimental and Theoretical Investigation; Benedetti S., Righi G., Luches P., D'Addato S., Magri R., Selloni A.; ACS Applied Materials and Interfaces (12); 27682-27690 (2020) 10.1021/acsami.0c03968

  • Influence of organic promoter gradient on the MoS2growth dynamics; Rotunno E., Bosi M., Seravalli L., Salviati G., Fabbri F.; Nanoscale Advances (2); 2352-2362 (2020) 10.1039/d0na00147c

  • Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: The role of size, passivation, symmetry and phase; Ossicini S., Marri I., Amato M., Palummo M., Canadell E., Rurali R.; Faraday Discussions (222); 217-239 (2020) 10.1039/c9fd00085b

  • Model lipid systems and their use to evaluate the phase state of biomembranes, their mechanical properties and the effect of non-conventional antibiotics: the case of daptomycin; Balleza D., Mescola A., Alessandrini A.; European Biophysics Journal (49); 401-408 (2020) 10.1007/s00249-020-01445-w

  • Unveiling the Physics behind Hybrid Functionals; Śmiga S., Constantin L.A.; Journal of Physical Chemistry A (124); 5606-5614 (2020) 10.1021/acs.jpca.0c04156

  • Ultrafast Formation of Small Polarons and the Optical Gap in CeO2; Pelli Cresi J.S., Di Mario L., Catone D., Martelli F., Paladini A., Turchini S., D'Addato S., Luches P., O'Keeffe P.; Journal of Physical Chemistry Letters (11); 5686-5691 (2020) 10.1021/acs.jpclett.0c01590

  • Microwave photon detectors based on semiconducting double quantum dots; Ghirri A., Cornia S., Affronte M.; Sensors (Switzerland) (20); 1-16 4010 (2020) 10.3390/s20144010

  • Atomistic insight into the aggregation of [Au25(SR)18]: Q nanoclusters; Vanzan M., Rosa M., Corni S.; Nanoscale Advances (2); 2842-2852 (2020) 10.1039/d0na00213e

  • Increasing Optical Efficiency in the Telecommunication Bands of Strain-Engineered Ga (As,Bi) Alloys; Tisbi E., Placidi E., Magri R., Prosposito P., Francini R., Zaganelli A., Cecchi S., Zallo E., Calarco R., Luna E., Honolka J., Vondráček M., Colonna S., Arciprete F.; Physical Review Applied (14); 014028 (2020) 10.1103/PhysRevApplied.14.014028

  • Unraveling the mechanism of the one-pot synthesis of exchange coupled Co-based nano-heterostructures with a high energy product; Muzzi B., Albino M., Innocenti C., Petrecca M., Cortigiani B., Fernández C.D.J., Bertoni G., Fernandez-Pacheco R., Ibarra A., Marquina C., Ibarra M.R., Sangregorio C.; Nanoscale (12); 14076-14086 (2020) 10.1039/d0nr01361g

  • Two-electron selective coupling in an edge-state based conditional phase shifter; Bellentani L., Forghieri G., Bordone P., Bertoni A.; Physical Review B (102); 035417 (2020) 10.1103/PhysRevB.102.035417

  • Insights into the effect of curcumin and (–)-epigallocatechin-3-gallate on the aggregation of aβ(1–40) monomers by means of molecular dynamics; Tavanti F., Pedone A., Menziani M.C.; International Journal of Molecular Sciences (21); 1-15 5462 (2020) 10.3390/ijms21155462

  • Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules; Krumland J., Valencia A.M., Pittalis S., Rozzi C.A., Cocchi C.; Journal of Chemical Physics (153); 054106 (2020) 10.1063/5.0008194

  • Storage and retrieval of microwave pulses with molecular spin ensembles; Bonizzoni C., Ghirri A., Santanni F., Atzori M., Sorace L., Sessoli R., Affronte M.; npj Quantum Information (6); 68 (2020) 10.1038/s41534-020-00296-9

  • Surface reducibility, reactivity, and stability induced by noble metal modifications on the γ -Fe2O3maghemite (001) surfaces; Righi G., Magri R.; Journal of Physics Condensed Matter (32); 425004 (2020) 10.1088/1361-648X/aba21c

  • Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations; Śmiga S., Constantin L.A.; Journal of Chemical Theory and Computation (16); 4983-4992 (2020) 10.1021/acs.jctc.0c00328

  • Hydrodynamical description for magneto-transport in the strange metal phase of Bi-2201; Amoretti A., Meinero M., Brattan D.K., Caglieris F., Giannini E., Affronte M., Hess C., Buechner B., Magnoli N., Putti M.; Physical Review Research (2); 023387 (2020) 10.1103/PhysRevResearch.2.023387

  • Thermal assisted tailoring of magnetic coercivity in Iron thin films on unstable Lithium Niobate substrate; Polewczyk V., Vinai G., Motti F., Santhosh S., Benedetti S., Rossi G., Torelli P.; Journal of Magnetism and Magnetic Materials (515); 167257 (2020) 10.1016/j.jmmm.2020.167257

  • Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions; Patra A., Jana S., Constantin L.A., Samal P.; Journal of Chemical Physics (153); 084117 (2020) 10.1063/5.0011849

  • Halide pb-free double-perovskites: Ternary vs. quaternary stoichiometry; Palummo M., Varsano D., Berríos E., Yamashita K., Giorgi G.; Energies (13); 3516 (2020) 10.3390/en13143516

  • Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation; Calzolari A., Catellani A.; IEEE Access (8); 156308-156313 9171237 (2020) 10.1109/ACCESS.2020.3017726

  • Methane Activation on Metal-Doped (111) and (100) Ceria Surfaces with Charge-Compensating Oxygen Vacancies; Righi G., Magri R., Selloni A.; Journal of Physical Chemistry C (124); 17578-17585 (2020) 10.1021/acs.jpcc.0c03320

  • Defect-assisted synthesis of magneto-plasmonic silver-spinel ferrite heterostructures in a flower-like architecture; Sanna Angotzi M., Mameli V., Cara C., Grillo V., Enzo S., Musinu A., Cannas C.; Scientific Reports (10); 17015 (2020) 10.1038/s41598-020-73502-5

  • Compressive strain formation in surface-damaged crystals; Ferrari C., Beretta S., Rotunno E., Korytár D., Zaprazny Z.; Journal of Applied Crystallography (53); 629-634 (2020) 10.1107/S1600576720003702

  • NMR Study of Spin Dynamics in V7Zn and V7Ni Molecular Rings; Adelnia F., Arosio P., Mariani M., Orsini F., Radaelli A., Sangregorio C., Borsa F., Walsh J.P.S., Winpenny R., Timco G., Lascialfari A.; Applied Magnetic Resonance (51); 1277-1293 (2020) 10.1007/s00723-020-01281-3

  • Computational insights into the binding of monolayer-capped gold nanoparticles onto amyloid-β fibrils; Tavanti F., Pedone A., Menziani M.C., Alexander-Katz A.; ACS Chemical Neuroscience (11); 3153-3160 (2020) 10.1021/acschemneuro.0c00497

  • Daptomycin Strongly Affects the Phase Behavior of Model Lipid Bilayers; Mescola A., Ragazzini G., Alessandrini A.; Journal of Physical Chemistry B (124); 8562-8571 (2020) 10.1021/acs.jpcb.0c06640

  • Vibrational signature of the graphene nanoribbon edge structure from high-resolution electron energy-loss spectroscopy; Cavani N., De Corato M., Ruini A., Prezzi D., Molinari E., Lodi Rizzini A., Rosi A., Biagi R., Corradini V., Wang X.Y., Feng X., Narita A., Müllen K., De Renzi V.; Nanoscale (12); 19681-19688 (2020) 10.1039/d0nr05763k

  • Effects of Ligand Binding on the Energy Landscape of Acyl-CoA-Binding Protein; Sonar P., Bellucci L., Mossa A., Heidarsson P.O., Kragelund B.B., Cecconi C.; Biophysical Journal (119); 1821-1832 (2020) 10.1016/j.bpj.2020.09.016

  • Efficient molecule discrimination in electron microscopy through an optimized orbital angular momentum sorter; Troiani F., Rotunno E., Frabboni S., Ravelli R.B.G., Peters P.J., Karimi E., Grillo V.; Physical Review A (102); 043510 (2020) 10.1103/PhysRevA.102.043510

  • Electronic band structure of layers within meta generalized gradient approximation of density functionals; Patra A., Patra B., Constantin L.A., Samal P.; Physical Review B (102); 045135 (2020) 10.1103/PhysRevB.102.045135

  • Continuous-time quantum walks in the presence of a quadratic perturbation; Candeloro A., Razzoli L., Cavazzoni S., Bordone P., Paris M.G.A.; Physical Review A (102); 042214 (2020) 10.1103/PhysRevA.102.042214

  • Development of a Terahertz scanning apparatus with automatic object detection capabilities; Rugliancich A., Paoletti R., Biesuz N., Bitossi M., Paolucci F., Stiaccini L.; Proceedings of SPIE - The International Society for Optical Engineering (11541); 115410I (2020) 10.1117/12.2574055

  • Hierarchical Short- and Medium-Range Order Structures in Amorphous Ge xSe1- xfor Selectors Applications; Tavanti F., Dianat B., Catellani A., Calzolari A.; ACS Applied Electronic Materials (2); 2961-2969 (2020) 10.1021/acsaelm.0c00581

  • Surface Effects on Pyrene Luminescence Excitation; Ritter J.R.