Angel Rubio, Ph.D. - Publications

Affiliations: 
University of the Basque Country, Leioa, Euskadi, Spain 
Website:
http://nano-bio.ehu.es/angel_rubio/

204 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Haugland TS, Schäfer C, Ronca E, Rubio A, Koch H. Intermolecular interactions in optical cavities: An ab initio QED study. The Journal of Chemical Physics. 154: 094113. PMID 33685159 DOI: 10.1063/5.0039256  0.4
2021 Yao K, Finney NR, Zhang J, Moore SL, Xian L, Tancogne-Dejean N, Liu F, Ardelean J, Xu X, Halbertal D, Watanabe K, Taniguchi T, Ochoa H, Asenjo-Garcia A, Zhu X, ... ... Rubio A, et al. Enhanced tunable second harmonic generation from twistable interfaces and vertical superlattices in boron nitride homostructures. Science Advances. 7. PMID 33658203 DOI: 10.1126/sciadv.abe8691  0.64
2021 Liu B, Xian L, Mu H, Zhao G, Liu Z, Rubio A, Wang ZF. Higher-Order Band Topology in Twisted Moiré Superlattice. Physical Review Letters. 126: 066401. PMID 33635687 DOI: 10.1103/PhysRevLett.126.066401  0.64
2021 Kerelsky A, Rubio-Verdú C, Xian L, Kennes DM, Halbertal D, Finney N, Song L, Turkel S, Wang L, Watanabe K, Taniguchi T, Hone J, Dean C, Basov DN, Rubio A, et al. Moiréless correlations in ABCA graphene. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33468646 DOI: 10.1073/pnas.2017366118  0.64
2021 Halbertal D, Finney NR, Sunku SS, Kerelsky A, Rubio-Verdú C, Shabani S, Xian L, Carr S, Chen S, Zhang C, Wang L, Gonzalez-Acevedo D, McLeod AS, Rhodes D, Watanabe K, ... ... Rubio A, et al. Moiré metrology of energy landscapes in van der Waals heterostructures. Nature Communications. 12: 242. PMID 33431846 DOI: 10.1038/s41467-020-20428-1  0.64
2020 Sidler D, Schäfer C, Ruggenthaler M, Rubio A. Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties. The Journal of Physical Chemistry Letters. 508-516. PMID 33373238 DOI: 10.1021/acs.jpclett.0c03436  0.4
2020 Hübener H, De Giovannini U, Schäfer C, Andberger J, Ruggenthaler M, Faist J, Rubio A. Engineering quantum materials with chiral optical cavities. Nature Materials. PMID 33168980 DOI: 10.1038/s41563-020-00801-7  0.4
2020 Rizzo DJ, Jessen BS, Sun Z, Ruta FL, Zhang J, Yan JQ, Xian L, McLeod AS, Berkowitz ME, Watanabe K, Taniguchi T, Nagler SE, Mandrus DG, Rubio A, Fogler MM, et al. Charge-Transfer Plasmon Polaritons at Graphene/α-RuCl Interfaces. Nano Letters. PMID 33166145 DOI: 10.1021/acs.nanolett.0c03466  0.64
2020 Wang L, Shih EM, Ghiotto A, Xian L, Rhodes DA, Tan C, Claassen M, Kennes DM, Bai Y, Kim B, Watanabe K, Taniguchi T, Zhu X, Hone J, Rubio A, et al. Correlated electronic phases in twisted bilayer transition metal dichalcogenides. Nature Materials. PMID 32572205 DOI: 10.1038/s41563-020-0708-6  0.64
2020 Schäfer C, Ruggenthaler M, Rokaj V, Rubio A. Relevance of the Quadratic Diamagnetic and Self-Polarization Terms in Cavity Quantum Electrodynamics. Acs Photonics. 7: 975-990. PMID 32322607 DOI: 10.1021/acsphotonics.9b01649  0.4
2020 Tancogne-Dejean N, Oliveira MJT, Andrade X, Appel H, Borca CH, Le Breton G, Buchholz F, Castro A, Corni S, Correa AA, De Giovannini U, Delgado A, Eich FG, Flick J, Gil G, ... ... Rubio A, et al. Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics. 152: 124119. PMID 32241132 DOI: 10.1063/1.5142502  0.44
2020 da Jornada FH, Xian L, Rubio A, Louie SG. Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals. Nature Communications. 11: 1013. PMID 32081895 DOI: 10.1038/s41467-020-14826-8  0.64
2020 Piskun I, Blackwell R, Jornet-Somoza J, Zhao F, Rubio A, Louie SG, Fischer FR. Covalent C-N Bond Formation Through a Surface Catalyzed Thermal Cyclodehydrogenation. Journal of the American Chemical Society. PMID 32043869 DOI: 10.1021/jacs.9b13507  0.64
2019 Hoffmann NM, Schäfer C, Säkkinen N, Rubio A, Appel H, Kelly A. Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics. 151: 244113. PMID 31893926 DOI: 10.1063/1.5128076  0.4
2019 Kerelsky A, McGilly LJ, Kennes DM, Xian L, Yankowitz M, Chen S, Watanabe K, Taniguchi T, Hone J, Dean C, Rubio A, Pasupathy AN. Maximized electron interactions at the magic angle in twisted bilayer graphene. Nature. 572: 95-100. PMID 31367030 DOI: 10.1038/s41586-019-1431-9  0.64
2019 Xian L, Kennes DM, Tancogne-Dejean N, Altarelli M, Rubio A. Multi-flat bands and strong correlations in Twisted Bilayer Boron Nitride: doping induced correlated insulator and superconductor. Nano Letters. PMID 31260633 DOI: 10.1021/acs.nanolett.9b00986  0.64
2019 Latini S, Ronca E, De Giovannini U, Hübener H, Rubio A. Cavity Control of Excitons in Two-Dimensional Materials. Nano Letters. PMID 31046291 DOI: 10.1021/acs.nanolett.9b00183  0.4
2019 Schäfer C, Ruggenthaler M, Appel H, Rubio A. Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry. Proceedings of the National Academy of Sciences of the United States of America. PMID 30733295 DOI: 10.1073/pnas.1814178116  0.4
2018 Gómez Pueyo A, Marques MAL, Rubio A, Castro A. Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods. Journal of Chemical Theory and Computation. PMID 29672048 DOI: 10.1021/acs.jctc.8b00197  0.44
2018 Flick J, Schäfer C, Ruggenthaler M, Appel H, Rubio A. Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State. Acs Photonics. 5: 992-1005. PMID 29594185 DOI: 10.1021/acsphotonics.7b01279  0.4
2017 Baldini E, Chiodo L, Dominguez A, Palummo M, Moser S, Yazdi-Rizi M, Auböck G, Mallett BP, Berger H, Magrez A, Bernhard C, Grioni M, Rubio A, Chergui M. Strongly bound excitons in anatase TiO2 single crystals and nanoparticles. Nature Communications. 8: 13. PMID 28408739 DOI: 10.1038/s41467-017-00016-6  0.52
2016 de Oteyza DG, Pérez Paz A, Chen YC, Pedramrazi Z, Riss A, Wickenburg S, Tsai HZ, Fischer FR, Crommie MF, Rubio A. Non-Covalent Dimerization after Enediyne Cyclization on Au(111). Journal of the American Chemical Society. PMID 27490459 DOI: 10.1021/jacs.6b05203  0.56
2016 Milne BF, Kjaer C, Houmøller J, Stockett MH, Toker Y, Rubio A, Nielsen SB. On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment. Angewandte Chemie (International Ed. in English). PMID 27072666 DOI: 10.1002/anie.201601979  0.56
2016 Shi L, Rohringer P, Suenaga K, Niimi Y, Kotakoski J, Meyer JC, Peterlik H, Wanko M, Cahangirov S, Rubio A, Lapin ZJ, Novotny L, Ayala P, Pichler T. Confined linear carbon chains as a route to bulk carbyne. Nature Materials. PMID 27043782 DOI: 10.1038/nmat4617  0.56
2016 Larsen AH, De Giovannini U, Rubio A. Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission. Topics in Current Chemistry. 368: 219-71. PMID 25860253 DOI: 10.1007/128_2014_616  0.56
2016 Bacaksiz C, Cahangirov S, Rubio A, Senger RT, Peeters FM, Sahin H. Bilayer SnS2: Tunable stacking sequence by charging and loading pressure Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.125403  0.56
2016 Casadei M, Ren X, Rinke P, Rubio A, Scheffler M. Density functional theory study of the α-γ Phase transition in cerium: Role of electron correlation and f -orbital localization Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.075153  0.56
2016 Torun E, Sahin H, Cahangirov S, Rubio A, Peeters FM. Anisotropic electronic, mechanical, and optical properties of monolayer WTe2 Journal of Applied Physics. 119. DOI: 10.1063/1.4942162  0.56
2016 Glanzmann LN, Mowbray DJ, Del Valle DGF, Scotognella F, Lanzani G, Rubio A. Photoinduced absorption within single-walled carbon nanotube systems Journal of Physical Chemistry C. 120: 1926-1935. DOI: 10.1021/acs.jpcc.5b10025  0.56
2015 Flick J, Ruggenthaler M, Appel H, Rubio A. Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the United States of America. PMID 26627715 DOI: 10.1073/pnas.1518224112  0.56
2015 Houmøller J, Wanko M, Rubio A, Nielsen SB. Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue? The Journal of Physical Chemistry. A. PMID 26549521 DOI: 10.1021/acs.jpca.5b08634  0.56
2015 Zhang H, Miyamoto Y, Cheng X, Rubio A. Optical field terahertz amplitude modulation by graphene nanoribbons. Nanoscale. PMID 26515436 DOI: 10.1039/c5nr05889a  0.56
2015 Pellegrini C, Flick J, Tokatly IV, Appel H, Rubio A. Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters. 115: 093001. PMID 26371646 DOI: 10.1103/PhysRevLett.115.093001  0.56
2015 Biele R, D'Agosta R, Rubio A. Time-Dependent Thermal Transport Theory. Physical Review Letters. 115: 056801. PMID 26274434 DOI: 10.1103/PhysRevLett.115.056801  0.56
2015 Theophilou I, Lathiotakis NN, Gidopoulos NI, Rubio A, Helbig N. Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals? The Journal of Chemical Physics. 143: 054106. PMID 26254641 DOI: 10.1063/1.4927784  0.56
2015 Jornet-Somoza J, Alberdi-Rodriguez J, Milne BF, Andrade X, Marques MA, Nogueira F, Oliveira MJ, Stewart JJ, Rubio A. Insights into colour-tuning of chlorophyll optical response in green plants. Physical Chemistry Chemical Physics : Pccp. 17: 26599-606. PMID 26250099 DOI: 10.1039/c5cp03392f  0.56
2015 Stockett MH, Musbat L, Kjær C, Houmøller J, Toker Y, Rubio A, Milne BF, Brøndsted Nielsen S. The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions. Physical Chemistry Chemical Physics : Pccp. 17: 25793-8. PMID 25873157 DOI: 10.1039/c5cp01513h  0.56
2015 Miyamoto Y, Zhang H, Miyazaki T, Rubio A. Modifying the interlayer interaction in layered materials with an intense IR laser. Physical Review Letters. 114: 116102. PMID 25839294  0.56
2015 Cudazzo P, Sottile F, Rubio A, Gatti M. Exciton dispersion in molecular solids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 113204. PMID 25738755 DOI: 10.1088/0953-8984/27/11/113204  0.56
2015 Cudazzo P, Sottile F, Rubio A, Gatti M. Exciton dispersion in molecular solids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 113204. PMID 25738755 DOI: 10.1088/0953-8984/27/11/113204  0.56
2015 Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, ... Rubio A, et al. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems. Physical Chemistry Chemical Physics : Pccp. PMID 25721500 DOI: 10.1039/c5cp00351b  0.56
2015 Bala Murali Krishna M, Man MKL, Vinod S, Chin C, Harada T, Taha-Tijerina J, Tiwary CS, Nguyen P, Chang P, Narayanan TN, Rubio A, Ajayan PM, Talapatra S, Dani KM. Emergent photophenomena in three dimensional van der Waals heterostructures Cleo: Qels - Fundamental Science, Cleo_qels 2015. 1551p. DOI: 10.1364/CLEO_QELS.2015.FM3B.5  0.56
2015 Castro A, Rubio A, Gross EKU. Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme European Physical Journal B. 88. DOI: 10.1140/epjb/e2015-50889-7  0.56
2015 De Giovannini U, Larsen AH, Rubio A. Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries European Physical Journal B. 88: 1-12. DOI: 10.1140/epjb/e2015-50808-0  0.56
2015 Miyamoto Y, Zhang H, Miyazaki T, Rubio A. Modifying the interlayer interaction in layered materials with an intense IR laser Physical Review Letters. 114. DOI: 10.1103/PhysRevLett.114.116102  0.56
2015 Miyamoto Y, Zhang H, Miyazaki T, Rubio A. Modifying the interlayer interaction in layered materials with an intense IR laser Physical Review Letters. 114. DOI: 10.1103/PhysRevLett.114.116102  0.56
2015 Hellgren M, Caruso F, Rohr DR, Ren X, Rubio A, Scheffler M, Rinke P. Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.165110  0.56
2015 Stockett MH, HoumØller J, Kjær C, Milne BF, Musbat L, Rubio A, Toker Y, Nielsen SB. Action spectroscopy of chlorophyll and other coordination complexes Journal of Physics: Conference Series. 635. DOI: 10.1088/1742-6596/635/11/112015  0.56
2015 Squire RH, March NH, Rubio A. Can Cooper pairs in benzene lead to Efimov states? Molecular Physics. 113: 294-296. DOI: 10.1080/00268976.2014.938708  0.56
2015 Ørnsø KB, Garcia-Lastra JM, De La Torre G, Himpsel FJ, Rubio A, Thygesen KS. Design of two-photon molecular tandem architectures for solar cells by ab initio theory Chemical Science. 6: 3018-3025. DOI: 10.1039/c4sc03835e  0.56
2015 Sun H, Mowbray DJ, Migani A, Zhao J, Petek H, Rubio A. Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2 Acs Catalysis. 5: 4242-4254. DOI: 10.1021/acscatal.5b00529  0.56
2015 Varas A, García-González P, García-Vidal FJ, Rubio A. Anisotropy Effects on the Plasmonic Response of Nanoparticle Dimers Journal of Physical Chemistry Letters. 6: 1891-1898. DOI: 10.1021/acs.jpclett.5b00573  0.56
2015 Albareda G, Bofill JM, Tavernelli I, Huarte-Larranaga F, Illas F, Rubio A. Conditional born-oppenheimer dynamics: Quantum dynamics simulations for the model porphine Journal of Physical Chemistry Letters. 6: 1529-1535. DOI: 10.1021/acs.jpclett.5b00422  0.56
2015 Yang K, Cantarero A, Rubio A, D’Agosta R. Optimal thermoelectric figure of merit of Si/Ge core-shell nanowires Nano Research. DOI: 10.1007/s12274-015-0766-2  0.56
2015 Milne BF, Toker Y, Rubio A, Nielsen SB. Unraveling the intrinsic color of chlorophyll Angewandte Chemie - International Edition. 54: 2170-2173. DOI: 10.1002/anie.201410899  0.56
2015 Krishna MBM, Man MKL, Vinod S, Chin C, Harada T, Taha-Tijerina J, Tiwary CS, Nguyen P, Chang P, Narayanan TN, Rubio A, Ajayan PM, Talapatra S, Dani KM. Engineering Photophenomena in Large, 3D Structures Composed of Self-Assembled van der Waals Heterostructure Flakes Advanced Optical Materials. DOI: 10.1002/adom.201500296  0.56
2015 Krishna MBM, Man MKL, Vinod S, Chin C, Harada T, Taha-Tijerina J, Tiwary CS, Nguyen P, Chang P, Narayanan TN, Rubio A, Ajayan PM, Talapatra S, Dani KM. Emergent photophenomena in three dimensional van der Waals heterostructures Conference On Lasers and Electro-Optics Europe - Technical Digest. 2015.  0.56
2014 Flick J, Appel H, Rubio A. Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems. Journal of Chemical Theory and Computation. 10: 1665-76. PMID 26580375 DOI: 10.1021/ct4010933  0.56
2014 Wegkamp D, Herzog M, Xian L, Gatti M, Cudazzo P, McGahan CL, Marvel RE, Haglund RF, Rubio A, Wolf M, Stähler J. Instantaneous band gap collapse in photoexcited monoclinic VO2 due to photocarrier doping. Physical Review Letters. 113: 216401. PMID 25479507 DOI: 10.1103/PhysRevLett.113.216401  0.56
2014 Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI. Quasi-particle energy spectra in local reduced density matrix functional theory. The Journal of Chemical Physics. 141: 164120. PMID 25362285 DOI: 10.1063/1.4899072  0.56
2014 Albareda G, Appel H, Franco I, Abedi A, Rubio A. Correlated electron-nuclear dynamics with conditional wave functions. Physical Review Letters. 113: 083003. PMID 25192095 DOI: 10.1103/PhysRevLett.113.083003  0.56
2014 Falke SM, Rozzi CA, Brida D, Maiuri M, Amato M, Sommer E, De Sio A, Rubio A, Cerullo G, Molinari E, Lienau C. Coherent ultrafast charge transfer in an organic photovoltaic blend. Science (New York, N.Y.). 344: 1001-5. PMID 24876491 DOI: 10.1126/science.1249771  0.56
2014 Malic E, Appel H, Hofmann OT, Rubio A. Förster-Induced Energy Transfer in Functionalized Graphene. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 118: 9283-9289. PMID 24808936 DOI: 10.1021/jp5019636  0.56
2014 de Juan A, Pouillon Y, Ruiz-González L, Torres-Pardo A, Casado S, Martín N, Rubio Á, Pérez EM. Mechanically interlocked single-wall carbon nanotubes. Angewandte Chemie (International Ed. in English). 53: 5394-400. PMID 24729452 DOI: 10.1002/anie.201402258  0.56
2014 Brøndsted Nielsen S, Brøndsted Nielsen M, Rubio A. Spectroscopy of nitrophenolates in vacuo: effect of spacer, configuration, and microsolvation on the charge-transfer excitation energy. Accounts of Chemical Research. 47: 1417-25. PMID 24673172 DOI: 10.1021/ar500025h  0.56
2014 Palma CA, Diller K, Berger R, Welle A, Björk J, Cabellos JL, Mowbray DJ, Papageorgiou AC, Ivleva NP, Matich S, Margapoti E, Niessner R, Menges B, Reichert J, Feng X, ... ... Rubio A, et al. Photoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures. Journal of the American Chemical Society. 136: 4651-8. PMID 24524804 DOI: 10.1021/ja412868w  0.56
2014 Ruiz-Soria G, Pérez Paz A, Sauer M, Mowbray DJ, Lacovig P, Dalmiglio M, Lizzit S, Yanagi K, Rubio A, Goldoni A, Ayala P, Pichler T. Revealing the adsorption mechanisms of nitroxides on ultrapure, metallicity-sorted carbon nanotubes. Acs Nano. 8: 1375-83. PMID 24404865 DOI: 10.1021/nn405114z  0.56
2014 García-Risueño P, Alberdi-Rodriguez J, Oliveira MJT, Andrade X, Pippig M, Muguerza J, Arruabarrena A, Rubio A. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations Journal of Computational Chemistry. 35: 427-444. PMID 24249048 DOI: 10.1002/jcc.23487  0.56
2014 Le Lay G, Cahangirov S, Xian L, Rubio A. Silicene phases on Ag(111) 2014 International Conference On Manipulation, Manufacturing and Measurement On the Nanoscale, 3m-Nano 2014 - Conference Proceedings. 108-111. DOI: 10.1109/3M-NANO.2014.7057339  0.56
2014 Paz AP, Lebedeva IV, Tokatly IV, Rubio A. Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.224202  0.56
2014 Cudazzo P, Gatti M, Rubio A. Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of 1T and 2H polymorphs Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.205128  0.56
2014 Zhang P, Feist J, Rubio A, García-González P, García-Vidal FJ. Ab initio nanoplasmonics: The impact of atomic structure Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.161407  0.56
2014 Cudazzo P, Ruotsalainen KO, Sahle CJ, Al-Zein A, Berger H, Navarro-Moratalla E, Huotari S, Gatti M, Rubio A. High-energy collective electronic excitations in layered transition-metal dichalcogenides Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.125125  0.56
2014 Tang P, Chen P, Cao W, Huang H, Cahangirov S, Xian L, Xu Y, Zhang SC, Duan W, Rubio A. Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.121408  0.56
2014 Cahangirov S, Özçelik VO, Rubio A, Ciraci S. Silicite: The layered allotrope of silicon Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.085426  0.56
2014 Caruso F, Atalla V, Ren X, Rubio A, Scheffler M, Rinke P. First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.085141  0.56
2014 Cahangirov S, Özçelik VO, Xian L, Avila J, Cho S, Asensio MC, Ciraci S, Rubio A. Atomic structure of the 3 × 3 phase of silicene on Ag(111) Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.035448  0.56
2014 Yang K, Cahangirov S, Cantarero A, Rubio A, D'Agosta R. Thermoelectric properties of atomically thin silicene and germanene nanostructures Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.125403  0.56
2014 Solanpää J, Budagosky JA, Shvetsov-Shilovski NI, Castro A, Rubio A, Räsänen E. Optimal control of high-harmonic generation by intense few-cycle pulses Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/PhysRevA.90.053402  0.56
2014 Crawford-Uranga A, De Giovannini U, Räsänen E, Oliveira MJT, Mowbray DJ, Nikolopoulos GM, Karamatskos ET, Markellos D, Lambropoulos P, Kurth S, Rubio A. Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/PhysRevA.90.033412  0.56
2014 Lathiotakis NN, Helbig N, Rubio A, Gidopoulos NI. Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/PhysRevA.90.032511  0.56
2014 Ruggenthaler M, Flick J, Pellegrini C, Appel H, Tokatly IV, Rubio A. Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/PhysRevA.90.012508  0.56
2014 Dávila ME, Xian L, Cahangirov S, Rubio A, Le Lay G. Germanene: A novel two-dimensional germanium allotrope akin to graphene and silicene New Journal of Physics. 16. DOI: 10.1088/1367-2630/16/9/095002  0.56
2014 Crawford-Uranga A, De Giovannini U, Mowbray DJ, Kurth S, Rubio A. Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene Journal of Physics B: Atomic, Molecular and Optical Physics. 47. DOI: 10.1088/0953-4075/47/12/124018  0.56
2014 Sarmiento-Pérez R, Botti S, Schnohr CS, Lauermann I, Rubio A, Johnson B. Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations Journal of Applied Physics. 116. DOI: 10.1063/1.4893579  0.56
2014 Miyamoto Y, Miyazaki T, Rubio A, Zhang H. Photo-induced strengthening of weak bonding in noble gas dimers Applied Physics Letters. 104. DOI: 10.1063/1.4875108  0.56
2014 Migani A, Mowbray DJ, Zhao J, Petek H, Rubio A. Quasiparticle level alignment for photocatalytic interfaces Journal of Chemical Theory and Computation. 10: 2103-2113. DOI: 10.1021/ct500087v  0.56
2014 Alberdi-Rodriguez J, Oliveira MJT, García-Risueño P, Nogueira F, Muguerza J, Arruabarrena A, Rubio A. Recent memory and performance improvements in Octopus code Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 8582: 607-622. DOI: 10.1007/978-3-319-09147-1_44  0.56
2014 Squire RH, March NH, Rubio A. Are there really cooper pairs and persistent currents in aromatic molecules? International Journal of Quantum Chemistry. 114: 437-440. DOI: 10.1002/qua.24613  0.56
2014 Malic E, Appel H, Hofmann OT, Rubio A. Energy-transfer in porphyrin- functionalized graphene Physica Status Solidi (B) Basic Research. 251: 2495-2498. DOI: 10.1002/pssb.201451246  0.56
2014 Glanzmann LN, Mowbray DJ, Rubio A. PFO-BPy solubilizers for SWNTs: Modelling of polymers from oligomers Physica Status Solidi (B) Basic Research. 251: 2407-2412. DOI: 10.1002/pssb.201451171  0.56
2014 Christensen MA, Della Pia EA, Houmøller J, Thomsen S, Wanko M, Bond AD, Rubio A, Brøndsted Nielsen S, Brøndsted Nielsen M. Cross-conjugation vs. linear conjugation in donor-bridge-acceptor nitrophenol chromophores European Journal of Organic Chemistry. 2014: 2044-2052. DOI: 10.1002/ejoc.201301642  0.56
2013 Seivane LF, Barron H, Botti S, Marques MA, Rubio A, López-Lozano X. Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires. Journal of Materials Research. 28: 240-249. PMID 25429189 DOI: 10.1557/jmr.2012.355  0.56
2013 Caruso F, Rohr DR, Hellgren M, Ren X, Rinke P, Rubio A, Scheffler M. Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory. Physical Review Letters. 110: 146403. PMID 25167014 DOI: 10.1103/PhysRevLett.110.146403  0.56
2013 Wanko M, Wende T, Montes Saralegui M, Jiang L, Rubio A, Asmis KR. Solvent-mediated folding of dicarboxylate dianions: aliphatic chain length dependence and origin of the IR intensity quenching. Physical Chemistry Chemical Physics : Pccp. 15: 20463-72. PMID 24173210 DOI: 10.1039/c3cp52824c  0.56
2013 Azani MR, Paz AP, Hermosa C, Givaja G, Gómez-Herrero J, Mas-Ballesté R, Zamora F, Rubio A. The isolation of single MMX chains from solution: unravelling the assembly-disassembly process. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15518-29. PMID 24115090 DOI: 10.1002/chem.201301450  0.56
2013 Attaccalite C, Wirtz L, Marini A, Rubio A. Efficient gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible. Scientific Reports. 3: 2698. PMID 24060843 DOI: 10.1038/srep02698  0.56
2013 El-Sayed A, Borghetti P, Goiri E, Rogero C, Floreano L, Lovat G, Mowbray DJ, Cabellos JL, Wakayama Y, Rubio A, Ortega JE, de Oteyza DG. Understanding energy-level alignment in donor-acceptor/metal interfaces from core-level shifts. Acs Nano. 7: 6914-20. PMID 23883347 DOI: 10.1021/nn4020888  0.56
2013 Migani A, Mowbray DJ, Iacomino A, Zhao J, Petek H, Rubio A. Level alignment of a prototypical photocatalytic system: methanol on TiO2(110). Journal of the American Chemical Society. 135: 11429-32. PMID 23865780 DOI: 10.1021/ja4036994  0.56
2013 Tang P, Chen P, Wu J, Kang F, Li J, Rubio A, Duan W. Metallicity retained by covalent functionalization of graphene with phenyl groups. Nanoscale. 5: 7537-43. PMID 23836075 DOI: 10.1039/c3nr01572f  0.56
2013 de Oteyza DG, Gorman P, Chen YC, Wickenburg S, Riss A, Mowbray DJ, Etkin G, Pedramrazi Z, Tsai HZ, Rubio A, Crommie MF, Fischer FR. Direct imaging of covalent bond structure in single-molecule chemical reactions. Science (New York, N.Y.). 340: 1434-7. PMID 23722428 DOI: 10.1126/science.1238187  0.56
2013 Houmøller J, Wanko M, Støchkel K, Rubio A, Brøndsted Nielsen S. On the effect of a single solvent molecule on the charge-transfer band of a donor-acceptor anion. Journal of the American Chemical Society. 135: 6818-21. PMID 23611585 DOI: 10.1021/ja4025275  0.56
2013 De Giovannini U, Brunetto G, Castro A, Walkenhorst J, Rubio A. Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1363-76. PMID 23520148 DOI: 10.1002/cphc.201201007  0.56
2013 Rozzi CA, Falke SM, Spallanzani N, Rubio A, Molinari E, Brida D, Maiuri M, Cerullo G, Schramm H, Christoffers J, Lienau C. Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system. Nature Communications. 4: 1602. PMID 23511467 DOI: 10.1038/ncomms2603  0.56
2013 Johnson PS, Cook PL, Zegkinoglou I, García-Lastra JM, Rubio A, Ruther RE, Hamers RJ, Himpsel FJ. Electronic structure of Fe- vs. Ru-based dye molecules. The Journal of Chemical Physics. 138: 044709. PMID 23387617 DOI: 10.1063/1.4788617  0.56
2013 Hogan C, Palummo M, Gierschner J, Rubio A. Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence. The Journal of Chemical Physics. 138: 024312. PMID 23320688 DOI: 10.1063/1.4773582  0.56
2013 Cudazzo P, Gatti M, Rubio A, Sottile F. Frenkel versus charge-transfer exciton dispersion in molecular crystals Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.195152  0.56
2013 Caruso F, Rinke P, Ren X, Rubio A, Scheffler M. Self-consistent GW: All-electron implementation with localized basis functions Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.075105  0.56
2013 Cahangirov S, Audiffred M, Tang P, Iacomino A, Duan W, Merino G, Rubio A. Electronic structure of silicene on Ag(111): Strong hybridization effects Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.035432  0.56
2013 Pavlyukh Y, Rubio A, Berakdar J. Time evolution of excitations in normal Fermi liquids Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.205124  0.56
2013 Horzum S, Sahin H, Cahangirov S, Cudazzo P, Rubio A, Serin T, Peeters FM. Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2 Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.125415  0.56
2013 Pavlyukh Y, Berakdar J, Rubio A. Initial stage of quasiparticle decay in fermionic systems Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.125101  0.56
2013 Fuks JI, Farzanehpour M, Tokatly IV, Appel H, Kurth S, Rubio A. Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/PhysRevA.88.062512  0.56
2013 Franco I, Rubio A, Brumer P. Long-lived oscillatory incoherent electron dynamics in molecules: Trans-polyacetylene oligomers New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/4/043004  0.56
2013 Roth F, Cudazzo P, Mahns B, Gatti M, Bauer J, Hampel S, Nohr M, Berger H, Knupfer M, Rubio A. Loss spectroscopy of molecular solids: Combining experiment and theory New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/12/125024  0.56
2013 Cudazzo P, Gatti M, Rubio A. Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/12/125005  0.56
2013 Akbari A, March NH, Rubio A, Angilella GGN, Pucci R. Recent progress in low-order density matrix theory of inhomogeneous electron liquids by exact solution of two- and four-electron model atoms Physics and Chemistry of Liquids. 51: 1-9. DOI: 10.1080/00319104.2013.753506  0.56
2013 Falke SM, Rozzi CA, Spallanzani N, Rubio A, Molinari E, Brida D, Maiuri M, Cerullo G, Schramm H, Christoffers J, Lienau C. Quantum coherence controls the charge separation in a prototypical artificial light harvesting system Optics Infobase Conference Papers. DOI: 10.1051/epjconf/20134108017  0.56
2013 Mowbray DJ, Migani A, Walther G, Cardamone DM, Rubio A. Gold and methane: A noble combination for delicate oxidation Journal of Physical Chemistry Letters. 4: 3006-3012. DOI: 10.1021/jz401553p  0.56
2013 Larsen AH, De Giovannini U, Whitenack DL, Wasserman A, Rubio A. Stark ionization of atoms and molecules within density functional resonance theory Journal of Physical Chemistry Letters. 4: 2734-2738. DOI: 10.1021/jz401110h  0.56
2013 Fuks JI, Elliott P, Rubio A, Maitra NT. Dynamics of charge-transfer processes with time-dependent density functional theory Journal of Physical Chemistry Letters. 4: 735-739. DOI: 10.1021/jz302099f  0.56
2013 Stella L, Zhang P, García-Vidal FJ, Rubio A, García-González P. Performance of nonlocal optics when applied to plasmonic nanostructures Journal of Physical Chemistry C. 117: 8941-8949. DOI: 10.1021/jp401887y  0.56
2013 Pickup DF, Zegkinoglou I, Ballesteros B, Ganivet CR, García-Lastra JM, Cook PL, Johnson PS, Rogero C, De Groot F, Rubio A, De La Torre G, Ortega JE, Himpsel FJ. Influence of axial and peripheral ligands on the electronic structure of titanium phthalocyanines Journal of Physical Chemistry C. 117: 4410-4420. DOI: 10.1021/jp3117853  0.56
2013 Himpsel FJ, Cook PL, De La Torre G, Garcia-Lastra JM, Gonzalez-Moreno R, Guo JH, Hamers RJ, Kronawitter CX, Johnson PS, Ortega JE, Pickup D, Ragoussi ME, Rogero C, Rubio A, Ruther RE, et al. Design of solar cell materials via soft X-ray spectroscopy Journal of Electron Spectroscopy and Related Phenomena. 190: 2-11. DOI: 10.1016/j.elspec.2012.10.002  0.56
2013 Akbari A, Amovilli C, March NH, Rubio A. Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions Journal of Mathematical Chemistry. 51: 1462-1466. DOI: 10.1007/s10910-013-0158-3  0.56
2013 Chiodo L, Iacomino A, Palummo M, Rubio A. Titania nanostructures electronic and optical response Handbook of Functional Nanomaterials. 2: 135-154.  0.56
2012 Elliott P, Fuks JI, Rubio A, Maitra NT. Universal dynamical steps in the exact time-dependent exchange-correlation potential. Physical Review Letters. 109: 266404. PMID 23368591 DOI: 10.1103/PhysRevLett.109.266404  0.56
2012 Zhang H, Miyamoto Y, Rubio A. Ab initio simulation of helium-ion microscopy images: the case of suspended graphene. Physical Review Letters. 109: 265505. PMID 23368582 DOI: 10.1103/PhysRevLett.109.265505  0.56
2012 Alonso JL, Castro A, Clemente-Gallardo J, Echenique P, Mazo JJ, Polo V, Rubio A, Zueco D. Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules Journal of Chemical Physics. 137. PMID 23249070 DOI: 10.1063/1.4747699  0.56
2012 Casadei M, Ren X, Rinke P, Rubio A, Scheffler M. Density-functional theory for f-electron systems: the α-γ phase transition in cerium. Physical Review Letters. 109: 146402. PMID 23083262 DOI: 10.1103/PhysRevLett.109.146402  0.56
2012 Wanko M, Houmøller J, Støchkel K, Suhr Kirketerp MB, Petersen MÅ, Nielsen MB, Nielsen SB, Rubio A. Substitution effects on the absorption spectra of nitrophenolate isomers. Physical Chemistry Chemical Physics : Pccp. 14: 12905-11. PMID 22898867 DOI: 10.1039/c2cp41636k  0.56
2012 Gao G, Gao W, Cannuccia E, Taha-Tijerina J, Balicas L, Mathkar A, Narayanan TN, Liu Z, Gupta BK, Peng J, Yin Y, Rubio A, Ajayan PM. Artificially stacked atomic layers: toward new van der Waals solids. Nano Letters. 12: 3518-25. PMID 22731861 DOI: 10.1021/nl301061b  0.56
2012 Miyamoto Y, Zhang H, Rubio A. Pulse-induced nonequilibrium dynamics of acetylene inside carbon nanotube studied by an ab initio approach. Proceedings of the National Academy of Sciences of the United States of America. 109: 8861-5. PMID 22615352 DOI: 10.1073/pnas.1204388109  0.56
2012 Andrade X, Alberdi-Rodriguez J, Strubbe DA, Oliveira MJ, Nogueira F, Castro A, Muguerza J, Arruabarrena A, Louie SG, Aspuru-Guzik A, Rubio A, Marques MA. Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 233202. PMID 22562950 DOI: 10.1088/0953-8984/24/23/233202  0.56
2012 Marom N, Caruso F, Ren X, Hofmann OT, Körzdörfer T, Chelikowsky JR, Rubio A, Scheffler M, Rinke P. Benchmark of GW methods for azabenzenes Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.245127  0.56
2012 Caruso F, Rinke P, Ren X, Scheffler M, Rubio A. Unified description of ground and excited states of finite systems: The self-consistent GW approach Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.081102  0.56
2012 Song L, Balicas L, Mowbray DJ, Capaz RB, Storr K, Ci L, Jariwala D, Kurth S, Louie SG, Rubio A, Ajayan PM. Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.075429  0.56
2012 Kramberger C, Roth F, Schuster R, Kraus R, Knupfer M, Einarsson E, Maruyama S, Mowbray DJ, Rubio A, Pichler T. Channeling of charge carrier plasmons in carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.085424  0.56
2012 Palummo M, Giorgi G, Chiodo L, Rubio A, Yamashita K. The nature of radiative transitions in TiO 2-based nanosheets Journal of Physical Chemistry C. 116: 18495-18503. DOI: 10.1021/jp304618n  0.56
2012 Malloci G, Chiodo L, Rubio A, Mattoni A. Structural and optoelectronic properties of unsaturated ZnO and ZnS nanoclusters Journal of Physical Chemistry C. 116: 8741-8746. DOI: 10.1021/jp209756z  0.56
2011 Chiodo L, Salazar M, Romero AH, Laricchia S, Sala FD, Rubio A. Structure, electronic, and optical properties of TiO 2 atomic clusters: An ab initio study Journal of Chemical Physics. 135. PMID 22225178 DOI: 10.1063/1.3668085  0.56
2011 Kirketerp MB, Leal LA, Varsano D, Rubio A, Jørgensen TJ, Kilså K, Nielsen MB, Nielsen SB. On the intrinsic optical absorptions by tetrathiafulvalene radical cations and isomers. Chemical Communications (Cambridge, England). 47: 6900-2. PMID 21597632 DOI: 10.1039/c1cc11936b  0.44
2011 Chiodo L, Massaro A, Cingolani R, Romero A, Rubio A. Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics Proceedings of the International Conference On Numerical Simulation of Optoelectronic Devices, Nusod. 157-158. DOI: 10.1109/NUSOD.2011.6041192  0.56
2011 Cudazzo P, Gatti M, Roth F, Mahns B, Knupfer M, Rubio A. Plasmon dispersion in molecular solids: Picene and potassium-doped picene Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.155118  0.56
2011 Bradley JA, Sakko A, Seidler GT, Rubio A, Hakala M, Hämäläinen K, Cooper G, Hitchcock AP, Schlimmer K, Nagle KP. Reexamining the Lyman-Birge-Hopfield band of N2 Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/PhysRevA.84.022510  0.56
2011 Fuks JI, Rubio A, Maitra NT. Charge transfer in time-dependent density-functional theory via spin-symmetry breaking Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/PhysRevA.83.042501  0.56
2010 Miyamoto Y, Zhang H, Rubio A. First-principles simulations of chemical reactions in an HCl molecule embedded inside a C or BN nanotube induced by ultrafast laser pulses. Physical Review Letters. 105: 248301. PMID 21231562 DOI: 10.1103/PhysRevLett.105.248301  0.56
2010 Bockstedte M, Marini A, Pankratov O, Rubio A. Many-body effects in the excitation spectrum of a defect in SiC. Physical Review Letters. 105: 026401. PMID 20867720 DOI: 10.1103/PhysRevLett.105.026401  0.52
2010 Kirketerp MB, Petersen MA, Wanko M, Zettergren H, Rubio A, Nielsen MB, Nielsen SB. Double-bond versus triple-bond bridges: does it matter for the charge-transfer absorption by donor-acceptor chromophores? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 2495-8. PMID 20680934 DOI: 10.1002/cphc.201000464  0.56
2010 Vila FD, Strubbe DA, Takimoto Y, Andrade X, Rubio A, Louie SG, Rehr JJ. Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids. The Journal of Chemical Physics. 133: 034111. PMID 20649312 DOI: 10.1063/1.3457362  0.56
2010 Rubio A. Hybridized graphene: Nanoscale patchworks. Nature Materials. 9: 379-80. PMID 20414215 DOI: 10.1038/nmat2746  0.56
2010 Chiodo L, García-Lastra JM, Iacomino A, Ossicini S, Zhao J, Petek H, Rubio A. Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.045207  0.56
2010 Roth F, Gatti M, Cudazzo P, Grobosch M, Mahns B, Büchner B, Rubio A, Knupfer M. Electronic properties of molecular solids: The peculiar case of solid picene New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/10/103036  0.56
2009 Andrade X, Castro A, Zueco D, Alonso JL, Echenique P, Falceto F, Rubio Á. Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics. Journal of Chemical Theory and Computation. 5: 728-742. PMID 26609578 DOI: 10.1021/ct800518j  0.76
2009 Oliveira MJ, Nogueira F, Marques MA, Rubio A. Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory. The Journal of Chemical Physics. 131: 214302. PMID 19968343 DOI: 10.1063/1.3265767  0.44
2009 Abou-Hamad E, Kim Y, Wågberg T, Boesch D, Aloni S, Zettl A, Rubio A, Luzzi DE, Goze-Bac C. Molecular dynamics and phase transition in one-dimensional crystal of C(60) encapsulated inside single wall carbon nanotubes. Acs Nano. 3: 3878-83. PMID 19911833 DOI: 10.1021/nn901128t  0.56
2009 Palummo M, Hogan C, Sottile F, Bagalá P, Rubio A. Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation. The Journal of Chemical Physics. 131: 084102. PMID 19725603 DOI: 10.1063/1.3204938  0.52
2009 Munksgaard Nielsen L, Holm AI, Varsano D, Kadhane U, Hoffmann SV, Di Felice R, Rubio A, Brøndsted Nielsen S. Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations. The Journal of Physical Chemistry. B. 113: 9614-9. PMID 19537699 DOI: 10.1021/jp9032029  0.56
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MA, di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT. Physical Chemistry Chemical Physics : Pccp. 11: 4481-9. PMID 19475166 DOI: 10.1039/b903200b  0.44
2009 Suhr Kirketerp MB, Axman Petersen M, Wanko M, Andres Espinosa Leal L, Zettergren H, Raymo FM, Rubio A, Brøndsted Nielsen M, Brøndsted Nielsen S. Absorption spectra of 4-nitrophenolate ions measured in vacuo and in solution. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 1207-9. PMID 19343762 DOI: 10.1002/cphc.200900174  0.56
2009 Grüneis A, Attaccalite C, Rubio A, Vyalikh DV, Molodtsov SL, Fink J, Follath R, Eberhardt W, Büchner B, Pichler T. Angle-resolved photoemission study of the graphite intercalation compound KC8: A key to graphene Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.075431  0.56
2009 Varsano D, Espinosa-Leal LA, Andrade X, Marques MAL, Di Felice R, Rubio A. Towards a gauge invariant method for molecular chiroptical properties in TDDFT Physical Chemistry Chemical Physics. 11: 4481-4489. DOI: 10.1039/b903200b  0.56
2009 Bovensiepen U, Gahl C, Stähler J, Bockstedte M, Meyer M, Baletto F, Scandolo S, Zhu XY, Rubio A, Wolf M. A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces Journal of Physical Chemistry C. 113: 979-988. DOI: 10.1021/jp806997d  0.56
2008 Oliveira MJ, Castro A, Marques MA, Rubio A. On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures. Journal of Nanoscience and Nanotechnology. 8: 3392-8. PMID 19051885  0.44
2008 Castro A, Marques MA, Romero AH, Oliveira MJ, Rubio A. The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures. The Journal of Chemical Physics. 129: 144110. PMID 19045137 DOI: 10.1063/1.2990745  0.44
2008 Alonso JL, Andrade X, Echenique P, Falceto F, Prada-Gracia D, Rubio A. Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory. Physical Review Letters. 101: 096403. PMID 18851630 DOI: 10.1103/PhysRevLett.101.096403  0.44
2008 Varsano D, Marini A, Rubio A. Optical saturation driven by exciton confinement in molecular chains: a time-dependent density-functional theory approach. Physical Review Letters. 101: 133002. PMID 18851443 DOI: 10.1103/PhysRevLett.101.133002  0.52
2008 Wirtz L, Marini A, Grüning M, Attaccalite C, Kresse G, Rubio A. Comment on "huge excitonic effects in layered hexagonal boron nitride". Physical Review Letters. 100: 189701; discussion 1. PMID 18518424 DOI: 10.1103/PhysRevLett.100.189701  0.52
2008 Grüneis A, Attaccalite C, Wirtz L, Shiozawa H, Saito R, Pichler T, Rubio A. Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.205425  0.56
2008 Botti S, Castro A, Andrade X, Rubio A, Marques MAL. Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.035333  0.56
2008 Biel B, García-Vidal FJ, Rubio A, Flores F. Ab initio study of transport properties in defected carbon nanotubes: An O(N) approach Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/29/294214  0.56
2007 García-González P, Fernández JJ, Marini A, Rubio A. Advanced correlation functionals: application to bulk materials and localized systems. The Journal of Physical Chemistry. A. 111: 12458-65. PMID 17929905 DOI: 10.1021/jp0746998  0.52
2007 Andrade X, Botti S, Marques MA, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities. The Journal of Chemical Physics. 126: 184106. PMID 17508791 DOI: 10.1063/1.2733666  0.44
2007 Andrade X, Botti S, Marques MAL, Rubio A. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Journal of Chemical Physics. 126. DOI: 10.1063/1.2733666  0.56
2006 Miyamoto Y, Rubio A, Tománek D. Real-time ab initio simulations of excited carrier dynamics in carbon nanotubes. Physical Review Letters. 97: 126104. PMID 17025983 DOI: 10.1103/PhysRevLett.97.126104  0.56
2006 Marini A, García-González P, Rubio A. First-principles description of correlation effects in layered materials. Physical Review Letters. 96: 136404. PMID 16712011 DOI: 10.1103/PhysRevLett.96.136404  0.52
2006 Grüning M, Marini A, Rubio A. Density functionals from many-body perturbation theory: the band gap for semiconductors and insulators. The Journal of Chemical Physics. 124: 154108. PMID 16674219 DOI: 10.1063/1.2189226  0.52
2006 Varsano D, Di Felice R, Marques MA, Rubio A. A TDDFT study of the excited states of DNA bases and their assemblies. The Journal of Physical Chemistry. B. 110: 7129-38. PMID 16599476 DOI: 10.1021/jp056120g  0.44
2006 Marini A, Del Sole R, Rubio A. Optical properties of solids and Nanostructures from a many-body fxc kernel Lecture Notes in Physics. 706: 301-316. DOI: 10.1007/3-540-35426-3_20  0.56
2006 Castro A, Appel H, Oliveira M, Rozzi CA, Andrade X, Lorenzen F, Marques MAL, Gross EKU, Rubio A. Octopus: A tool for the application of time-dependent density functional theory Physica Status Solidi (B) Basic Research. 243: 2465-2488. DOI: 10.1002/pssb.200642067  0.56
2005 Biel B, García-Vidal FJ, Rubio A, Flores F. Anderson localization in carbon nanotubes: defect density and temperature effects. Physical Review Letters. 95: 266801. PMID 16486382 DOI: 10.1103/PhysRevLett.95.266801  0.56
2005 Lopez X, Marques MA, Castro A, Rubio A. Optical absorption of the blue fluorescent protein: a first-principles study. Journal of the American Chemical Society. 127: 12329-37. PMID 16131211 DOI: 10.1021/ja050935l  0.44
2005 Sottile F, Bruneval F, Marinopoulos AG, Dash LK, Botti S, Olevano V, Vast N, Rubio A, Reining L. TDDFT from molecules to solids: The role of long-range interactions International Journal of Quantum Chemistry. 102: 684-701. DOI: 10.1002/qua.20486  0.56
2005 Cao A, Talapatra S, Choi Y, Vajtai R, Ajayan PM, Filin A, Persans P, Rubio A. Recovered bandgap absorption of single-walled carbon nanotubes in acetone and alcohols Advanced Materials. 17: 147-150. DOI: 10.1002/adma.200400113  0.56
2004 Castro A, Marques MA, Rubio A. Propagators for the time-dependent Kohn-Sham equations. The Journal of Chemical Physics. 121: 3425-33. PMID 15303905 DOI: 10.1063/1.1774980  0.44
2004 Castro A, Marques MAL, Alonso JA, Bertsch GF, Rubio A. Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation European Physical Journal D. 28: 211-218. DOI: 10.1140/epjd/e2003-00306-3  0.56
2004 Marinopoulos AG, Reining L, Rubio A, Olevano V. Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite Physical Review B - Condensed Matter and Materials Physics. 69: 245419-1-245419-12. DOI: 10.1103/PhysRevB.69.245419  0.56
2004 Botti S, Sottile F, Vast N, Olevano V, Reining L, Weissker HC, Rubio A, Onida G, Del Sole R, Godby RW. Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 69: 155112-1-155112-14. DOI: 10.1103/PhysRevB.69.155112  0.56
2004 Marques MAL, Troiani HE, Miki-Yoshida M, Jose-Yacaman M, Rubio A. On the breaking of carbon nanotubes under tension Nano Letters. 4: 811-815. DOI: 10.1021/nl049839t  0.56
2004 Martínez JI, Castro A, Rubio A, Poblet JM, Alonso JA. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars Chemical Physics Letters. 398: 292-296. DOI: 10.1016/j.cplett.2004.09.058  0.56
2004 Marinopoulos AG, Wirtz L, Marini A, Olevano V, Rubio A, Reining L. Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: A first-principles approach Applied Physics a: Materials Science and Processing. 78: 1157-1167.  0.56
2003 Marini A, Del Sole R, Rubio A. Bound excitons in time-dependent density-functional theory: optical and energy-loss spectra. Physical Review Letters. 91: 256402. PMID 14754131  0.56
2003 Marinopoulos AG, Reining L, Rubio A, Vast N. Optical and loss spectra of carbon nanotubes: depolarization effects and intertube interactions. Physical Review Letters. 91: 046402. PMID 12906680  0.56
2003 Marques MA, López X, Varsano D, Castro A, Rubio A. Time-dependent density-functional approach for biological chromophores: the case of the green fluorescent protein. Physical Review Letters. 90: 258101. PMID 12857170 DOI: 10.1103/PhysRevLett.90.258101  0.44
2002 Marinopoulos AG, Reining L, Olevano V, Rubio A, Pichler T, Liu X, Knupfer M, Fink J. Anisotropy and interplane interactions in the dielectric response of graphite. Physical Review Letters. 89: 076402. PMID 12190537  0.56
2002 Reining L, Olevano V, Rubio A, Onida G. Excitonic effects in solids described by time-dependent density-functional theory. Physical Review Letters. 88: 066404. PMID 11863831  0.56
2002 Onida G, Reining L, Rubio A. Electronic excitations: Density-functional versus many-body Green's-function approaches Reviews of Modern Physics. 74: 601-659. DOI: 10.1103/RevModPhys.74.601  0.56
2002 Castro A, Marques MAL, Alonso JA, Bertsch GF, Yabana K, Rubio A. Can optical spectroscopy directly elucidate the ground state of C20? Journal of Chemical Physics. 116: 1930-1933. DOI: 10.1063/1.1430737  0.56
2001 Spataru CD, Cazalilla MA, Rubio A, Benedict LX, Echenique PM, Louie SG. Anomalous quasiparticle lifetime in graphite: band structure effects. Physical Review Letters. 87: 246405. PMID 11736524  0.64
2001 Lammert PE, Crespi VH, Rubio A. Stochastic heterostructures and diodium in B/N-doped carbon nanotubes. Physical Review Letters. 87: 136402. PMID 11580612 DOI: 10.1103/PhysRevLett.87.136402  0.88
2001 López MJ, Rubio A, Alonso JA, Qin LC, Iijima S. Novel polygonized single-wall carbon nanotube bundles Physical Review Letters. 86: 3056-3059. DOI: 10.1103/PhysRevLett.86.3056  0.56
2000 Bertsch GF, Iwata JI, Rubio A, Yabana K. Real-space, real-time method for the dielectric function Physical Review B - Condensed Matter and Materials Physics. 62: 7998-8002. DOI: 10.1103/PhysRevB.62.7998  0.56
1996 Nogueira F, Fiolhais C, He J, Perdew JP, Rubio A. Transferability of a local pseudopotential based on solid-state electron density Journal of Physics Condensed Matter. 8: 287-302. DOI: 10.1088/0953-8984/8/3/008  0.56
1995 Weng-Sieh Z, Cherrey K, Chopra NG, Blase X, Miyamoto Y, Rubio A, Cohen ML, Louie SG, Zettl A, Gronsky R. Synthesis of BxCyNz nanotubules Physical Review B. 51: 11229-11232. DOI: 10.1103/PhysRevB.51.11229  0.56
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