@article {Guda2018,
	title = {Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches},
	journal = {Catalysis Today},
	year = {2018},
	note = {cited By 2; Article in Press},
	doi = {10.1016/j.cattod.2018.10.071},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85057399135&doi=10.1016%2fj.cattod.2018.10.071&partnerID=40&md5=95f64f297dac1f86246f040b624c8094},
	author = {Guda, A.A. and Guda, S.A. and Lomachenko, K.A. and Soldatov, M.A. and Pankin, I.A. and Soldatov, A.V. and Braglia, L. and Bugaev, A.L. and Martini, A. and Signorile, M. and Groppo, E. and Piovano, A. and Borfecchia, E. and Lamberti, C.}
}
@article {Wauters2018,
	title = {Quantization of the Hall conductivity in the Harper-Hofstadter model},
	journal = {Physical Review B},
	volume = {98},
	number = {20},
	year = {2018},
	note = {cited By 0},
	doi = {10.1103/PhysRevB.98.205112},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85056414912&doi=10.1103%2fPhysRevB.98.205112&partnerID=40&md5=297df19c9a2f81ed08347922ee718b0b},
	author = {Wauters, M.M. and Santoro, G.E.}
}
@article {Hašík2018,
	title = {Quantum and classical ripples in graphene},
	journal = {Physical Review B},
	volume = {97},
	number = {14},
	year = {2018},
	note = {cited By 1},
	doi = {10.1103/PhysRevB.97.140301},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85045153833&doi=10.1103%2fPhysRevB.97.140301&partnerID=40&md5=d785395ad60adc17dda4c1aeb2da7415},
	author = {Hašík, J. and Tosatti, E. and Martoňák, R.}
}
@article {Hašík2018,
	title = {Quantum and classical ripples in graphene},
	journal = {Physical Review B},
	volume = {97},
	number = {14},
	year = {2018},
	note = {cited By 2},
	doi = {10.1103/PhysRevB.97.140301},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85045153833&doi=10.1103%2fPhysRevB.97.140301&partnerID=40&md5=d785395ad60adc17dda4c1aeb2da7415},
	author = {Hašík, J. and Tosatti, E. and Martoňák, R.}
}
@article {Otsuka2018,
	title = {Quantum criticality in the metal-superconductor transition of interacting Dirac fermions on a triangular lattice},
	journal = {Physical Review B},
	volume = {98},
	number = {3},
	year = {2018},
	note = {cited By 4},
	doi = {10.1103/PhysRevB.98.035126},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85050394733&doi=10.1103%2fPhysRevB.98.035126&partnerID=40&md5=2e6ab45d578fc1de9e1d731746338815},
	author = {Otsuka, Y. and Seki, K. and Sorella, S. and Yunoki, S.}
}
@article {Valli20182158,
	title = {Quantum Interference Assisted Spin Filtering in Graphene Nanoflakes},
	journal = {Nano Letters},
	volume = {18},
	number = {3},
	year = {2018},
	note = {cited By 2},
	pages = {2158-2164},
	doi = {10.1021/acs.nanolett.8b00453},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85043977375&doi=10.1021%2facs.nanolett.8b00453&partnerID=40&md5=ed1d78557a3125861edc2176f4ba6eb2},
	author = {Valli, A. and Amaricci, A. and Brosco, V. and Capone, M.}
}
@article {Valli20182158,
	title = {Quantum Interference Assisted Spin Filtering in Graphene Nanoflakes},
	journal = {Nano Letters},
	volume = {18},
	number = {3},
	year = {2018},
	note = {cited By 0},
	pages = {2158-2164},
	doi = {10.1021/acs.nanolett.8b00453},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85043977375&doi=10.1021%2facs.nanolett.8b00453&partnerID=40&md5=ed1d78557a3125861edc2176f4ba6eb2},
	author = {Valli, A. and Amaricci, A. and Brosco, V. and Capone, M.}
}
@article {Citro2018,
	title = {Quantum phase transitions of a two-leg bosonic ladder in an artificial gauge field},
	journal = {Physical Review B},
	volume = {97},
	number = {17},
	year = {2018},
	note = {cited By 1},
	doi = {10.1103/PhysRevB.97.174523},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85048299158&doi=10.1103%2fPhysRevB.97.174523&partnerID=40&md5=cdd59f6de9f18e5d57283fa25322ca8c},
	author = {Citro, R. and De Palo, S. and Di Dio, M. and Orignac, E.}
}
@article {Citro2018,
	title = {Quantum phase transitions of a two-leg bosonic ladder in an artificial gauge field},
	journal = {Physical Review B},
	volume = {97},
	number = {17},
	year = {2018},
	note = {cited By 0},
	doi = {10.1103/PhysRevB.97.174523},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85048299158&doi=10.1103%2fPhysRevB.97.174523&partnerID=40&md5=cdd59f6de9f18e5d57283fa25322ca8c},
	author = {Citro, R. and De Palo, S. and Di Dio, M. and Orignac, E.}
}
@conference {Heckmann2018,
	title = {Quasi 1D structures at the Bi/InAs(100) surface},
	booktitle = {AIP Conference Proceedings},
	volume = {1996},
	year = {2018},
	note = {cited By 0},
	doi = {10.1063/1.5048869},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85051864349&doi=10.1063%2f1.5048869&partnerID=40&md5=74f61e56f8a7dff3c12595307309193a},
	author = {Heckmann, O. and Richter, M.C. and Mariot, J.-M. and Nicolaï, L. and Vobornik, I. and Wang, W. and Djukic, U. and Hricovini, K.}
}
@article {Shkvarin201812592,
	title = {Quasimolecular complexes in the Cu: XTiSe2- ySy intercalation compound},
	journal = {Journal of Materials Chemistry C},
	volume = {6},
	number = {46},
	year = {2018},
	note = {cited By 0},
	pages = {12592-12600},
	doi = {10.1039/c8tc04115f},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85057546171&doi=10.1039%2fc8tc04115f&partnerID=40&md5=390b1302d6a3535480029f7a3a12eee7},
	author = {Shkvarin, A.S. and Merentsov, A.I. and Titov, A.A. and Yarmoshenko, Y.M. and Shkvarina, E.G. and Pis, I. and Nappini, S. and Titov, A.N.}
}
@article {Pincelli2017,
	title = {Quantifying the critical thickness of electron hybridization in spintronics materials},
	journal = {Nature Communications},
	volume = {8},
	year = {2017},
	note = {cited By 0},
	doi = {10.1038/ncomms16051},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85024503486&doi=10.1038%2fncomms16051&partnerID=40&md5=988643c7b30b82a22381359d32fb48c4},
	author = {Pincelli, T. and Lollobrigida, V. and Borgatti, F. and Regoutz, A. and Gobaut, B. and Schlueter, C. and Lee, T.-L. and Payne, D.J. and Oura, M. and Tamasaku, K. and Petrov, A.Y. and Graziosi, P. and Miletto Granozio, F. and Cavallini, M. and Vinai, G. and Ciprian, R. and Backl, C.H. and Rossi, G. and Taguchi, M. and Daimon, H. and van der Laan, G. and Panaccione, G.}
}
@article {Caglieris2017,
	title = {Quantum oscillations in the SmFeAsO parent compound and superconducting SmFeAs(O,F)},
	journal = {Physical Review B},
	volume = {96},
	number = {10},
	year = {2017},
	note = {cited By 0},
	doi = {10.1103/PhysRevB.96.104508},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85029944960&doi=10.1103%2fPhysRevB.96.104508&partnerID=40&md5=6e488c3b6952199d24032c8172430679},
	author = {Caglieris, F. and Leveratto, A. and Pallecchi, I. and Bernardini, F. and Fujioka, M. and Takano, Y. and Repetto, L. and Jost, A. and Zeitler, U. and Putti, M.}
}
@article {Capelli2016,
	title = {Quantitative resonant soft x-ray reflectivity of ultrathin anisotropic organic layers: Simulation and experiment of PTCDA on Au},
	journal = {Journal of Chemical Physics},
	volume = {145},
	number = {2},
	year = {2016},
	note = {cited By 0},
	doi = {10.1063/1.4956452},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84978505324&partnerID=40&md5=989b4f25ed64e5487545389a421c6689},
	author = {Capelli, R. and Mahne, N. and Koshmak, K. and Giglia, A. and Doyle, B.P. and Mukherjee, S. and Nannarone, S. and Pasquali, L.}
}
@article {Privitera2016,
	title = {Quantum annealing and nonequilibrium dynamics of Floquet Chern insulators},
	journal = {Physical Review B - Condensed Matter and Materials Physics},
	volume = {93},
	number = {24},
	year = {2016},
	note = {cited By 1},
	doi = {10.1103/PhysRevB.93.241406},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976869980&partnerID=40&md5=c38c5b8c9905e25d5d968043d17ed984},
	author = {Privitera, L. and Santoro, G.E.}
}
@article {Zanca2016,
	title = {Quantum annealing speedup over simulated annealing on random Ising chains},
	journal = {Physical Review B - Condensed Matter and Materials Physics},
	volume = {93},
	number = {22},
	year = {2016},
	note = {cited By 0},
	doi = {10.1103/PhysRevB.93.224431},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976624996&partnerID=40&md5=114fd79ac77bf6f6204a0ad01758a39a},
	author = {Zanca, T. and Santoro, G.E.}
}
@article {Nawaz2016169,
	title = {Quantum capacitance in monolayers of silicene and related buckled materials},
	journal = {Physica E: Low-Dimensional Systems and Nanostructures},
	volume = {76},
	year = {2016},
	note = {cited By 2},
	pages = {169-172},
	doi = {10.1016/j.physe.2015.10.023},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84945530187&partnerID=40&md5=9ffb3038c2637a7fc88eb3302f560cd8},
	author = {Nawaz, S. and Tahir, M.}
}
@article {Ciccullo201617645,
	title = {A Quasi-Free-Standing Single Layer of a B3N3-Doped Nanographene Molecule Deposited on Au(111) Single Crystals},
	journal = {Journal of Physical Chemistry C},
	volume = {120},
	number = {31},
	year = {2016},
	note = {cited By 0},
	pages = {17645-17651},
	doi = {10.1021/acs.jpcc.6b06237},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84981485818&partnerID=40&md5=068c82419c8b54e83d67f89e260d5105},
	author = {Ciccullo, F. and Calzolari, A. and Pis, I. and Savu, S.-A. and Krieg, M. and Bettinger, H.F. and Magnano, E. and Chassé, T. and Casu, M.B.}
}
@article {Sgrignani20153864,
	title = {QM/MM MD simulations on the enzymatic pathway of the human flap endonuclease (hFEN1) elucidating common cleavage pathways to RNase H enzymes},
	journal = {ACS Catalysis},
	volume = {5},
	number = {6},
	year = {2015},
	note = {cited By 0},
	pages = {3864-3875},
	doi = {10.1021/acscatal.5b00178},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84930659241&partnerID=40&md5=a94fa81274891145f5c5011ead9ca5d0},
	author = {Sgrignani, J. and Magistrato, A.}
}
@article {Ma2015191,
	title = {QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS},
	journal = {Computer Physics Communications},
	volume = {195},
	year = {2015},
	note = {cited By 0},
	pages = {191-198},
	doi = {10.1016/j.cpc.2015.04.024},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84932194686&partnerID=40&md5=af05747240c68703e7f45b23785e61d8},
	author = {Ma, C. and Martin-Samos, L. and Fabris, S. and Laio, A. and Piccinin, S.}
}
@article {Becca2015,
	title = {Quantum magnets: Break it up},
	journal = {Nature Physics},
	volume = {11},
	number = {1},
	year = {2015},
	note = {cited By 0},
	pages = {8-9},
	doi = {10.1038/nphys3213},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84927125530&partnerID=40&md5=4025d640e883da27d1d6d5fc175ad026},
	author = {Becca, F. and Sorella, S.}
}
@article {Barberan2015,
	title = {Quantum simulation of conductivity plateaux and fractional quantum Hall effect using ultracold atoms},
	journal = {New Journal of Physics},
	volume = {17},
	number = {12},
	year = {2015},
	note = {cited By 0},
	doi = {10.1088/1367-2630/17/12/125009},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84954530576&partnerID=40&md5=aec1049aa6216f517aba4605374298d8},
	author = {Barberán, N. and Dagnino, D. and García-March, M.A. and Trombettoni, A. and Taron, J. and Lewenstein, M.}
}
@article {Shiga2015,
	title = {Quasi-boundary based on exchange symmetry theory for multilevel simulations},
	journal = {Molecular Simulation},
	volume = {41},
	number = {10-12},
	year = {2015},
	note = {cited By 0},
	pages = {827-831},
	doi = {10.1080/08927022.2014.938068},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84931011399&partnerID=40&md5=6e092bfa1865ac1665f81e9e38317398},
	author = {Shiga, M. and Masia, M.}
}
@article {Ancilotto2015a,
	title = {Quenched Dynamics of the Momentum Distribution of the Unitary Bose Gas},
	journal = {Few-Body Systems},
	volume = {56},
	number = {11-12},
	year = {2015},
	note = {cited By 0},
	pages = {801-807},
	doi = {10.1007/s00601-015-0971-2},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84946488351&partnerID=40&md5=123002d1de8f107c948c46d9014d2681},
	author = {Ancilotto, F. and Rossi, M. and Salasnich, L. and Toigo, F.}
}
@article {Vidossich2014,
	title = {QM/MM Molecular Dynamics Studies of Metal Binding Proteins},
	journal = {Biomolecules},
	volume = {4},
	number = {3},
	year = {2014},
	pages = {616–645},
	publisher = {Multidisciplinary Digital Publishing Institute},
	doi = {10.3390/biom4030616},
	author = {Vidossich, Pietro and Magistrato, Alessandra}
}
@article {Fantoni2014b,
	title = {Quantum Gibbs ensemble Monte Carlo},
	journal = {The Journal of chemical physics},
	volume = {141},
	year = {2014},
	publisher = {American Institute of Physics.},
	address = {[New York, etc.]},
	abstract = {We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of He-4 in two dimensions. (C) 2014 AIP Publishing LLC.},
	issn = {0021-9606},
	doi = {10.1063/1.4895974},
	author = {Fantoni, Riccardo and Moroni, Saverio}
}
@article {Dagrada2014,
	title = {Quantum Monte Carlo Study of the Protonated Water Dimer},
	journal = {Journal of chemical theory and computation},
	volume = {10},
	year = {2014},
	pages = {1980–1993},
	publisher = {American Chemical Society,},
	address = {Washington, D.C.},
	abstract = {We report an extensive theoretical study of the protonated water dimer H5O2+ (Zundel ion) by means of the highly correlated variational Monte Carlo and lattice regularized Monte Carlo approaches. This system represents the simplest model for proton transfer (PT), and a correct description of its properties is essential in order to understand the PT mechanism in more complex aqueous systems. Our Jastrow correlated AGP wave function ensures an accurate treatment of electron correlation. By exploiting the advantage of contracting the primitive basis set over atomic hybrid orbitals, we are able to limit dramatically the number of variational parameters with a systematic control on the numerical precision, a crucial ingredient in order to simulate larger systems. For both energetics and geometrical properties, our QMC results are found to be in excellent agreement with state-of-the-art coupled cluster CCSD(T) techniques. A comparison with density functional theory in the PBE approximation points to the crucial role of electron correlation for a correct description of the PT in the dimer. We prove that the QMC framework used in this work is able to resolve the tiny energy differences (similar to 0.3 kcal/mol) and structural variations involved in proton transfer reactions. Our approach combines these features and a favorable N-4 scaling with the number of particles which paves the way to the simulation of more realistic PT models. A test calculation on a larger protonated water cluster is carried out. The QMC approach used here represents a promising candidate to provide the first high-level ab initio description of PT in water.},
	issn = {1549-9618},
	doi = {10.1021/ct401077x},
	author = {Dagrada, Mario and Casula, Michele and Saitta, Antonino M. and Sorella, Sandro and Mauri, Francesco}
}
@article {Sonato2013a,
	title = {Quantitative control of poly(ethylene oxide) surface antifouling and biodetection through azimuthally enhanced grating coupled-surface plasmon resonance sensing},
	journal = {Applied Surface Science},
	volume = {286},
	year = {2013},
	month = {dec},
	pages = {22–30},
	doi = {10.1016/j.apsusc.2013.08.128},
	author = {Sonato, Agnese and Silvestri, Davide and Ruffato, Gianluca and Zacco, Gabriele and Romanato, Filippo and Morpurgo, Margherita}
}
@article {Coira2013,
	title = {Quantum quenches in one-dimensional gapless systems},
	journal = {European Physical Journal B},
	volume = {86},
	number = {2},
	year = {2013},
	month = {feb},
	pages = {55},
	doi = {10.1140/epjb/e2012-30978-y},
	author = {Coira, Emanuele and Becca, Federico and Parola, Alberto}
}
@article {Crampe2013,
	title = {Quantum spins on star graphs and the Kondo model},
	journal = {Nuclear Physics B},
	volume = {871},
	number = {3},
	year = {2013},
	month = {jun},
	pages = {526–538},
	doi = {10.1016/j.nuclphysb.2013.03.001},
	author = {Crampe, N. and Trombettoni, A.}
}
@article {Ruggeri2013,
	title = {Quasi-2D Liquid He-3},
	journal = {Physical Review Letters},
	volume = {111},
	number = {4},
	year = {2013},
	month = {jul},
	pages = {045303},
	doi = {10.1103/PhysRevLett.111.045303},
	author = {Ruggeri, M. and Moroni, S. and Boninsegni, M.}
}
