Publications

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2018
A. A. Guda, Guda, S. A., Lomachenko, K. A., Soldatov, M. A., Pankin, I. A., Soldatov, A. V., Braglia, L., Bugaev, A. L., Martini, A., Signorile, M., Groppo, E., Piovano, A., Borfecchia, E., and Lamberti, C., “Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches”, Catalysis Today, 2018.
M. M. Wauters and Santoro, G. E., “Quantization of the Hall conductivity in the Harper-Hofstadter model”, Physical Review B, vol. 98, 2018.
J. Hašík, Tosatti, E., and Martoňák, R., “Quantum and classical ripples in graphene”, Physical Review B, vol. 97, 2018.
J. Hašík, Tosatti, E., and Martoňák, R., “Quantum and classical ripples in graphene”, Physical Review B, vol. 97, 2018.
Y. Otsuka, Seki, K., Sorella, S., and Yunoki, S., “Quantum criticality in the metal-superconductor transition of interacting Dirac fermions on a triangular lattice”, Physical Review B, vol. 98, 2018.
A. Valli, Amaricci, A., Brosco, V., and Capone, M., “Quantum Interference Assisted Spin Filtering in Graphene Nanoflakes”, Nano Letters, vol. 18, pp. 2158-2164, 2018.
A. Valli, Amaricci, A., Brosco, V., and Capone, M., “Quantum Interference Assisted Spin Filtering in Graphene Nanoflakes”, Nano Letters, vol. 18, pp. 2158-2164, 2018.
R. Citro, De Palo, S., Di Dio, M., and Orignac, E., “Quantum phase transitions of a two-leg bosonic ladder in an artificial gauge field”, Physical Review B, vol. 97, 2018.
R. Citro, De Palo, S., Di Dio, M., and Orignac, E., “Quantum phase transitions of a two-leg bosonic ladder in an artificial gauge field”, Physical Review B, vol. 97, 2018.
O. Heckmann, Richter, M. C., Mariot, J. - M., Nicolaï, L., Vobornik, I., Wang, W., Djukic, U., and Hricovini, K., “Quasi 1D structures at the Bi/InAs(100) surface”, in AIP Conference Proceedings, 2018, vol. 1996.
A. S. Shkvarin, Merentsov, A. I., Titov, A. A., Yarmoshenko, Y. M., Shkvarina, E. G., Pis, I., Nappini, S., and Titov, A. N., “Quasimolecular complexes in the Cu: XTiSe2- ySy intercalation compound”, Journal of Materials Chemistry C, vol. 6, pp. 12592-12600, 2018.
2017
T. Pincelli, Lollobrigida, V., Borgatti, F., Regoutz, A., Gobaut, B., Schlueter, C., Lee, T. - L., Payne, D. J., Oura, M., Tamasaku, K., Petrov, A. Y., Graziosi, P., F. Granozio, M., Cavallini, M., Vinai, G., Ciprian, R., Backl, C. H., Rossi, G., Taguchi, M., Daimon, H., van der Laan, G., and Panaccione, G., “Quantifying the critical thickness of electron hybridization in spintronics materials”, Nature Communications, vol. 8, 2017.
F. Caglieris, Leveratto, A., Pallecchi, I., Bernardini, F., Fujioka, M., Takano, Y., Repetto, L., Jost, A., Zeitler, U., and Putti, M., “Quantum oscillations in the SmFeAsO parent compound and superconducting SmFeAs(O,F)”, Physical Review B, vol. 96, 2017.
2016
R. Capelli, Mahne, N., Koshmak, K., Giglia, A., Doyle, B. P., Mukherjee, S., Nannarone, S., and Pasquali, L., “Quantitative resonant soft x-ray reflectivity of ultrathin anisotropic organic layers: Simulation and experiment of PTCDA on Au”, Journal of Chemical Physics, vol. 145, 2016.
L. Privitera and Santoro, G. E., “Quantum annealing and nonequilibrium dynamics of Floquet Chern insulators”, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
T. Zanca and Santoro, G. E., “Quantum annealing speedup over simulated annealing on random Ising chains”, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
S. Nawaz and Tahir, M., “Quantum capacitance in monolayers of silicene and related buckled materials”, Physica E: Low-Dimensional Systems and Nanostructures, vol. 76, pp. 169-172, 2016.
F. Ciccullo, Calzolari, A., Pis, I., Savu, S. - A., Krieg, M., Bettinger, H. F., Magnano, E., Chassé, T., and Casu, M. B., “A Quasi-Free-Standing Single Layer of a B3N3-Doped Nanographene Molecule Deposited on Au(111) Single Crystals”, Journal of Physical Chemistry C, vol. 120, pp. 17645-17651, 2016.
2015
J. Sgrignani and Magistrato, A., “QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidating common cleavage pathways to RNase H enzymes”, ACS Catalysis, vol. 5, pp. 3864-3875, 2015.
C. Ma, Martin-Samos, L., Fabris, S., Laio, A., and Piccinin, S., “QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS”, Computer Physics Communications, vol. 195, pp. 191-198, 2015.
F. Becca and Sorella, S., “Quantum magnets: Break it up”, Nature Physics, vol. 11, pp. 8-9, 2015.
N. Barberán, Dagnino, D., García-March, M. A., Trombettoni, A., Taron, J., and Lewenstein, M., “Quantum simulation of conductivity plateaux and fractional quantum Hall effect using ultracold atoms”, New Journal of Physics, vol. 17, 2015.
M. Shiga and Masia, M., “Quasi-boundary based on exchange symmetry theory for multilevel simulations”, Molecular Simulation, vol. 41, pp. 827-831, 2015.
F. Ancilotto, Rossi, M., Salasnich, L., and Toigo, F., “Quenched Dynamics of the Momentum Distribution of the Unitary Bose Gas”, Few-Body Systems, vol. 56, pp. 801-807, 2015.
2014
P. Vidossich and Magistrato, A., “QM/MM Molecular Dynamics Studies of Metal Binding Proteins”, Biomolecules, vol. 4, pp. 616–645, 2014.

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