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Publications S3@NANO
S3 Publications 2002-2010

 Publications

 

 

year:
found 78 publications


  • Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app; Wang X., Bainglass E., Bonacci M., Ortega-Guerrero A., Bastonero L., Bercx M., Bonfà P., De Renzi R., Du D., Gillespie P.N.O., Hernández-Bertrán M.A., Hollas D., Huber S.P., Molinari E., Onuorah I.J., Paulish N., Prezzi D., Qiao J., Reents T., Sewell C.J., Timrov I., Yakutovich A.V., Yu J., Marzari N., Pignedoli C.A., Pizzi G.; Npj Computational Materials (12); 72 (2026) 10.1038/s41524-025-01936-4

  • Stabilization of sliding ferroelectricity through exciton condensation; D’Alessio M., Varsano D., Molinari E., Rontani M.; Nature Communications (17); 5345 (2026) 10.1038/s41467-026-71890-2

  • MaX - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results: Invited Paper; Riha L., Böhm A., Vysocky O., Vaverka F., Boella E., Gregori D., Paladino M., Delugas P., Baseggio O., Baroni S., Andreucci F., Mood K.H., Herten A., Michalicek G., Wortmann D., Blügel S., Ordejon P., Pedron F.N., Gutierrez Moreno J.J., Grima Torres R., Affinito F., Ippolito M., Giannozzi P., Genovese L., Ferrari Ruffino F., Carnimeo I., Sergent M., Raffin E., Girotto I., Garcia A., Javoršek J.J., Krašovec B., Prah A., Strban S., Degomme A., Malica C., Bastonero L., Marzari N., Spallanzani N., Varsano D., Ferretti A., Molinari E.; Proceedings of the 22nd ACM International Conference on Computing Frontiers 2025 Cf 2025 (2); 150-156 (2025) 10.1145/3706594.3727577

  • Narrow gap carbon nanotubes as candidate excitonic insulators; Sesti G., Varsano D., Molinari E., Rontani M.; Nuovo Cimento Della Societa Italiana Di Fisica C (48); 210 (2025) 10.1393/ncc/i2025-25210-3

  • Laterally π-Extended Polyhelicenes; Wu H., Qiu Z., Wen G., Hinaut A., Harano K., Graf R., Prezzi D., Estaque L., Tsai Y.L., Schollmeyer D., Pieters G., Molinari E., Pawlak R., Meyer E., Kimoto K., Wang H.I., Bonn M., Müllen K., Narita A.; Journal of the American Chemical Society (147); 43842-43849 (2025) 10.1021/jacs.5c15494

  • Binding and spontaneous condensation of excitons in narrow-gap carbon nanotubes; Sesti G., Varsano D., Molinari E., Rontani M.; Physical Review B (112); 235424 (2025) 10.1103/xgwl-25nh

  • Magnetic tuning of the tunnel coupling in an optically active quantum dot molecule; Bopp F., Cullip C., Thalacker C., Lienhart M., Schall J., Bart N., Sbresny F., Boos K., Rodt S., Reuter D., Ludwig A., Wieck A.D., Reitzenstein S., Troiani F., Goldoni G., Molinari E., Müller K., Finley J.J.; Physical Review B (112); 1-5 L060404 (2025) 10.1103/dhjc-fvh3

  • Understanding the Irreversible Lithium Loss in Silicon Anodes Using Multi-edge X-ray Scattering Analysis; Hernandez Bertran M.A., Zapata Dominguez D., Berhaut C.L., Tardif S., Longo A., Sahle C.J., Cavallari C., de Clermont Gallerande E., Marri I., Herlin-Boime N., Molinari E., Pouget S., Prezzi D., Lyonnard S.; Chemistry of Materials (37); 3648-3660 (2025) 10.1021/acs.chemmater.4c03366

  • 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

  • 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

  • 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

  • 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

  • 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

  • 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

  • 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

  • Unveiling Vibronic Coupling within the Q-bands of a Freebase Porphyrin; Petropoulos V., Russo M., Rukin P., Quintela F., Moretti L., Moore A., Moore T., Gust D., Prezzi D., Scholes G., Molinari E., Troiani F., Cerullo G., Rozzi C., Maiuri M.; Optics InfoBase Conference Papers (2022)

  • Evidence for equilibrium exciton condensation in monolayer WTe2; Sun, B., Zhao, W., Palomaki, T., Fei, Z., Runburg, E., Malinowski, P., Huang, X., Cenker, J., Cui, Y.-T., Chu, J.-H., Xu, X., Ataei, S.S., Varsano, D., Palummo, M., Molinari, E., Rontani, M., Cobden, D.H.; Nature Physics (18); 94-99 (2022) 10.1038/s41567-021-01427-5

  • Graphene decoupling through oxygen intercalation on Gr/Co and Gr/Co/Ir interfaces; Leon D.A., Ferretti A., Varsano D., Molinari E., Cardoso C.; Physical Review Materials (6); 064004 (2022) 10.1103/PhysRevMaterials.6.064004

  • Anomalous screening in narrow-gap carbon nanotubes; Sesti G., Varsano D., Molinari E., Rontani M.; Physical Review B (105); 195404 (2022) 10.1103/PhysRevB.105.195404

  • Anomalous non-equilibrium response in black phosphorus to sub-gap mid-infrared excitation; Montanaro, A., Giusti, F., Zanfrognini, M., Di Pietro, P., Glerean, F., Jarc, G., Rigoni, E.M., Mathengattil, S.Y., Varsano, D., Rontani, M., Perucchi, A., Molinari, E., Fausti, D.; Nature communications (13); 1-7 (2022) 10.1038/s41467-022-30341-4

  • Band structure modulation by methoxy-functionalization of graphene nanoribbons; Götz A., Wang X.Y., Ruini A., Zheng W., Soltani P., Graf R., Tries A., Li J., Palma C.A., Molinari E., Hansen M.R., Wang H.I., Prezzi D., Müllen K., Narita A.; Journal of Materials Chemistry C (10); 4173-4181 (2022) 10.1039/d1tc05695f

  • Gap Opening in Double-Sided Highly Hydrogenated Free-Standing Graphene; Betti M.G., Placidi E., Izzo C., Blundo E., Polimeni A., Sbroscia M., Avila J., Dudin P., Hu K., Ito Y., Prezzi D., Bonacci M., Molinari E., Mariani C.; Nano Letters (2022) 10.1021/acs.nanolett.2c00162

  • Excitonic effects in graphene-like C3 N; Bonacci M., Zanfrognini M., Molinari E., Ruini A., Caldas M.J., Ferretti A., Varsano D.; Physical Review Materials (6); 034009 (2022) 10.1103/PhysRevMaterials.6.034009

  • 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

  • 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

  • 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

  • Adsorption and Motion of Single Molecular Motors on TiO2(110); Jacobson, P., Prezzi, D., Liu, D., Schied, M., Tour, J.M., Corni, S., Calzolari, A., Molinari, E., Grill, L.; Journal of Physical Chemistry C (124); 24776-24785 (2020) 10.1021/acs.jpcc.0c07065

  • 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

  • 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

  • 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

  • Multiwavelength Raman spectroscopy of ultranarrow nanoribbons made by solution-mediated bottom-up approach; Rizzo, D., Prezzi, D., Ruini, A., Nagyte, V., Keerthi, A., Narita, A., Beser, U., Xu, F., Mai, Y., Feng, X., Müllen, K., Molinari, E., Casiraghi, C.; Physical Review B (100); 045406 (2019) 10.1103/PhysRevB.100.045406

  • Tailoring optical properties and stimulated emission in nanostructured polythiophene; Portone, A., Ganzer, L., Branchi, F., Ramos, R., Caldas, M.J., Pisignano, D., Molinari, E., Cerullo, G., Persano, L., Prezzi, D., Virgili, T.; Scientific Reports (9); 7370 (2019) 10.1038/s41598-019-43719-0

  • Electronic and optical properties of doped TiO2 by many-body perturbation theory; Atambo, M.O., Varsano, D., Ferretti, A., Ataei, S.S., Caldas, M.J., Molinari, E., Selloni, A.; Physical Review Materials (3); 045401 (2019) 10.1103/PhysRevMaterials.3.045401

  • Interaction-Driven Giant Orbital Magnetic Moments in Carbon Nanotubes; Island, J.O., Ostermann, M., Aspitarte, L., Minot, E.D., Varsano, D., Molinari, E., Rontani, M., Steele, G.A.; Physical Review Letters (121); 127704 (2018) 10.1103/PhysRevLett.121.127704

  • Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion; Hu, Y., Xie, P., De Corato, M., Ruini, A., Zhao, S., Meggendorfer, F., Straasø, L.A., Rondin, L., Simon, P., Li, J., Finley, J.J., Hansen, M.R., Lauret, J.-S., Molinari, E., Feng, X., Barth, J.V., Palma, C.-A., Prezzi, D., Müllen, K., Narita, A.; Journal of the American Chemical Society (140); 7803-7809 (2018) 10.1021/jacs.8b02209

  • Carbon nanotubes as excitonic insulators; Varsano, D., Sorella, S., Sangalli, D., Barborini, M., Corni, S., Molinari, E., Rontani, M.; Nature Communications (8); 1461 (2017) 10.1038/s41467-017-01660-8

  • How to Identify Plasmons from the Optical Response of Nanostructures; Zhang, R., Bursi, L., Cox, J.D., Cui, Y., Krauter, C.M., Alabastri, A., Manjavacas, A., Calzolari, A., Corni, S., Molinari, E., Carter, E.A., García De Abajo, F.J., Zhang, H., Nordlander, P.; ACS Nano (11); 7321-7335 (2017) 10.1021/acsnano.7b03421

  • Coherent ultrafast polaron pair formation in a conjugated polymer at room temperature; De Sio A., Sommer E., Troiani F., Rehault J., Maiuri M., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers FW4N.2 (2016)

  • Coherent vibronic coupling in a conjugated polymer at room temperature; De Sio, A., Sommer, E., Troiani, F., Maiuri, M., Rehault, J., Lim, J., Huelga, S.F., Plenio, M.B., Molinari, E., Cerullo, G., Lienau, C.; Optics InfoBase Conference Papers - (2016) 10.1364/UP.2016.UW3A.5

  • Coherent ultrafast polaron pair formation in a conjugated polymer at room temperature; De Sio, A., Sommer, E., Troiani, F., Rehault, J., Maiuri, M., Molinari, E., Cerullo, G., Lienau, C.; 2016 Conference on Lasers and Electro-Optics, CLEO 2016 7787953 (2016) 10.1364/cleo_qels.2016.fw4n.2

  • Tracking the coherent generation of polaron pairs in conjugated polymers; De Sio, A., Troiani, F., Maiuri, M., Réhault, J., Sommer, E., Lim, J., Huelga, S.F., Plenio, M.B., Rozzi, C.A., Cerullo, G., Molinari, E., Lienau, C.; Nature Communications (7); 13742 (2016) 10.1038/ncomms13742

  • Raman Fingerprints of Atomically Precise Graphene Nanoribbons; Verzhbitskiy, I.A., De Corato, M., Ruini, A., Molinari, E., Narita, A., Hu, Y., Schwab, M.G., Bruna, M., Yoon, D., Milana, S., Feng, X., Müllen, K., Ferrari, A.C., Casiraghi, C., Prezzi, D.; Nano Letters (16); 3442-3447 (2016) 10.1021/acs.nanolett.5b04183

  • Quantifying the Plasmonic Character of Optical Excitations in Nanostructures; Bursi, L., Calzolari, A., Corni, S., Molinari, E.; ACS Photonics (3); 520-525 (2016) 10.1021/acsphotonics.5b00688

  • Exciton-exciton annihilation and biexciton stimulated emission in graphene nanoribbons; Soavi, G., Dal Conte, S., Manzoni, C., Viola, D., Narita, A., Hu, Y., Feng, X., Hohenester, U., Molinari, E., Prezzi, D., Müllen, K., Cerullo, G.; Nature Communications (7); 11010 (2016) 10.1038/ncomms11010

  • Coherent vibronic coupling in a conjugated polymer at room temperature; De Sio A., Sommer E., Troiani F., Maiuri M., Rehault J., Lim J., Huelga S.F., Plenio M.B., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers (2016) 10.1364/UP.2016.UW3A.5

  • Coherent ultrafast charge transfer in an organic photovoltaic blend; Sio, A.D., Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Springer Proceedings in Physics (162); 557-560 (2015) 10.1007/978-3-319-13242-6_136

  • First-principles comparative study on the interlayer adhesion and shear strength of transition-metal dichalcogenides and graphene; Levita, G., Molinari, E., Polcar, T., Righi, M.C.; Physical Review B - Condensed Matter and Materials Physics (92); 085434 (2015) 10.1103/PhysRevB.92.085434

  • Probing coherent ultrafast exciton dissociation in a polymer: Fullerene photovoltaic absorber; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; CLEO: QELS - Fundamental Science, CLEO_QELS 2015 1551p- (2015) 10.1364/CLEO_QELS.2015.FM2B.4

  • Surface-assisted reactions toward formation of graphene nanoribbons on Au(110) surface; Massimi, L., Ourdjini, O., Lafferentz, L., Koch, M., Grill, L., Cavaliere, E., Gavioli, L., Cardoso, C., Prezzi, D., Molinari, E., Ferretti, A., Mariani, C., Betti, M.G.; Journal of Physical Chemistry C (119); 2427-2437 (2015) 10.1021/jp509415r

  • Probing coherent ultrafast exciton dissociation in a polymer: Fullerene photovoltaic absorber; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; Conference on Lasers and Electro-Optics Europe - Technical Digest (2015-August); 7183070 (2015)

  • Coherent ultrafast exciton dissociation in polymer: Fullerene thin films; De Sio A., Sommer E., Maiuri M., Rehault J., Rozzi C.A., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers (2015)

  • Coherent ultrafast charge transfer in an organic photovoltaic blend; De Sio, A., Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Optics InfoBase Conference Papers - (2014) 10.1364/up.2014.10.thu.e.3

  • Coherent ultrafast exciton dissociation in polymer: Fullerene thin films; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; Optics InfoBase Conference Papers - (2014)

  • Light-Induced Field Enhancement in Nanoscale Systems from First-Principles: The Case of Polyacenes; Bursi, L., Calzolari, A., Corni, S., Molinari, E.; ACS Photonics (1); 1049-1058 (2014) 10.1021/ph500269q

  • Sliding properties of MoS2 layers: Load and interlayer orientation effects; Levita, G., Cavaleiro, A., Molinari, E., Polcar, T., Righi, M.C.; Journal of Physical Chemistry C (118); 13809-13816 (2014) 10.1021/jp4098099

  • Optical properties of bilayer graphene nanoflakes; De Corato, M., Cocchi, C., Prezzi, D., Caldas, M.J., Molinari, E., Ruini, A.; Journal of Physical Chemistry C (118); 23219-23225 (2014) 10.1021/jp504222m

  • Anisotropy and size effects on the optical spectra of polycyclic aromatic hydrocarbons; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry A (118); 6507-6513 (2014) 10.1021/jp503054j

  • Exciton-dominated optical response of ultra-narrow graphene nanoribbons; Denk, R., Hohage, M., Zeppenfeld, P., Cai, J., Pignedoli, C.A., Söde, H., Fasel, R., Feng, X., Müllen, K., Wang, S., Prezzi, D., Ferretti, A., Ruini, A., Molinari, E., Ruffieux, P.; Nature Communications (5); 4253 (2014) 10.1038/ncomms5253

  • Coherent ultrafast charge transfer in an organic photovoltaic blend; Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., De Sio, A., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Science (344); 1001-1005 (2014) 10.1126/science.1249771

  • Ab initio simulation of optical limiting: The case of metal-free phthalocyanine; Cocchi, C., Prezzi, D., Ruini, A., Molinari, E., Rozzi, C.A.; Physical Review Letters (112); 198303 (2014) 10.1103/PhysRevLett.112.198303

  • Concavity effects on the optical properties of aromatic hydrocarbons; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Fasolino, A., Molinari, E.; Journal of Physical Chemistry C (117); 12909-12915 (2013) 10.1021/jp4036259

  • Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; EPJ Web of Conferences (41); 08017 (2013) 10.1051/epjconf/20134108017

  • Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system; Andrea Rozzi, C., Maria Falke, S., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Nature Communications (4); 1602 (2013) 10.1038/ncomms2603

  • Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Optics InfoBase Conference Papers - (2013)

  • Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; 2013 Conference on Lasers and Electro-Optics Europe and International Quantum Electronics Conference, CLEO/Europe-IQEC 2013 6801895 (2013) 10.1109/CLEOE-IQEC.2013.6801895

  • Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Optics InfoBase Conference Papers - (2012)

  • Potential energy surface for graphene on graphene: Ab initio derivation, analytical description, and microscopic interpretation; Reguzzoni, M., Fasolino, A., Molinari, E., Righi, M.C.; Physical Review B - Condensed Matter and Materials Physics (86); 245434 (2012) 10.1103/PhysRevB.86.245434

  • Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; 2012 Conference on Lasers and Electro-Optics, CLEO 2012 6326879 (2012)

  • Electronics and optics of graphene nanoflakes: Edge functionalization and structural distortions; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry C (116); 17328-17335 (2012) 10.1021/jp300657k

  • Friction by shear deformations in multilayer graphene; Reguzzoni, M., Fasolino, A., Molinari, E., Righi, M.C.; Journal of Physical Chemistry C (116); 21104-21108 (2012) 10.1021/jp306929g

  • Optical excitations and field enhancement in short graphene nanoribbons; Cocchi, C., Prezzi, D., Ruini, A., Benassi, E., Caldas, M.J., Corni, S., Molinari, E.; Journal of Physical Chemistry Letters (3); 924-929 (2012) 10.1021/jz300164p

  • SiO2 in Density Functional Theory and Beyond; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Advanced Calculations for Defects in Materials: Electronic Structure Methods 201-211 (2011) 10.1002/9783527638529.ch12

  • Optical properties and charge-transfer excitations in edge-functionalized all-graphene nanojunctions; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry Letters (2); 1315-1319 (2011) 10.1021/jz200472a

  • Designing All-graphene nanojunctions by covalent functionalization; Cocchi, C., Ruini, A., Prezzi, D., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry C (115); 2969-2973 (2011) 10.1021/jp109909s

  • SiO2 in density functional theory and beyond; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Physica Status Solidi (B) Basic Research (248); 1061-1066 (2011) 10.1002/pssb.201046283

  • Protein-surface interactions: Challenging experiments and computations; Cohavi, O., Corni, S., de Rienzo, F., di Felice, R., Gottschalk, K.E., Hoefling, M., Kokh, D., Molinari, E., Schreiber, G., Vaskevich, A., Wade, R.C.; Journal of Molecular Recognition (23); 259-262 (2010) 10.1002/jmr.993

  • Unraveling effects of disorder on the electronic structure of SiO2 from first principles; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Physical Review B - Condensed Matter and Materials Physics (81); 081202 (2010) 10.1103/PhysRevB.81.081202

  • Spin-transport selectivity upon Co adsorption on antiferromagnetic graphene nanoribbons; Cocchi, C., Prezzi, D., Calzolari, A., Molinari, E.; Journal of Chemical Physics (133); 124703 (2010) 10.1063/1.3478317