Ivano Tavernelli
Ivano Tavernelli
IBM Quantum, IBM Research - Zurich
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Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers
S Mathew, A Yella, P Gao, R Humphry-Baker, BFE Curchod, ...
Nature chemistry 6 (3), 242-247, 2014
Qiskit: An open-source framework for quantum computing
G Aleksandrowicz, T Alexander, P Barkoutsos, L Bello, Y Ben-Haim, ...
Accessed on: Mar 16, 61, 2019
Quantum optimization using variational algorithms on near-term quantum devices
N Moll, P Barkoutsos, LS Bishop, JM Chow, A Cross, DJ Egger, S Filipp, ...
Quantum Science and Technology 3 (3), 030503, 2018
Optimization of Effective Atom Centered Potentials for London Dispersion Forces<? format?> in Density Functional Theory
OA Von Lilienfeld, I Tavernelli, U Rothlisberger, D Sebastiani
Physical review letters 93 (15), 153004, 2004
New paradigm in molecular engineering of sensitizers for solar cell applications
T Bessho, E Yoneda, JH Yum, M Guglielmi, I Tavernelli, H Imai, ...
Journal of the American Chemical Society 131 (16), 5930-5934, 2009
Trajectory Surface Hopping within Linear Response Time-Dependent<? format?> Density-Functional Theory
E Tapavicza, I Tavernelli, U Rothlisberger
Physical review letters 98 (2), 023001, 2007
Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions
PK Barkoutsos, JF Gonthier, I Sokolov, N Moll, G Salis, A Fuhrer, ...
Physical Review A 98 (2), 022322, 2018
Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections
IC Lin, AP Seitsonen, I Tavernelli, U Rothlisberger
Journal of chemical theory and computation 8 (10), 3902-3910, 2012
Binding of organometallic ruthenium (II) and osmium (II) complexes to an oligonucleotide: a combined mass spectrometric and theoretical study
A Dorcier, PJ Dyson, C Gossens, U Rothlisberger, R Scopelliti, ...
Organometallics 24 (9), 2114-2123, 2005
Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry
E Tapavicza, I Tavernelli, U Rothlisberger, C Filippi, ME Casida
The Journal of chemical physics 129 (12), 2008
Importance of van der Waals interactions in liquid water
IC Lin, AP Seitsonen, MD Coutinho-Neto, I Tavernelli, U Rothlisberger
The Journal of Physical Chemistry B 113 (4), 1127-1131, 2009
Improving variational quantum optimization using CVaR
PK Barkoutsos, G Nannicini, A Robert, I Tavernelli, S Woerner
Quantum 4, 256, 2020
Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction
J Blumberger, L Bernasconi, I Tavernelli, R Vuilleumier, M Sprik
Journal of the American Chemical Society 126 (12), 3928-3938, 2004
Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory
BFE Curchod, U Rothlisberger, I Tavernelli
ChemPhysChem 14 (7), 1314-1340, 2013
Acid-induced degradation of phosphorescent dopants for OLEDs and its application to the synthesis of tris-heteroleptic iridium (III) bis-cyclometalated complexes
E Baranoff, BFE Curchod, J Frey, R Scopelliti, F Kessler, I Tavernelli, ...
Inorganic chemistry 51 (1), 215-224, 2012
Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr
IC Lin, MD Coutinho-Neto, C Felsenheimer, OA von Lilienfeld, I Tavernelli, ...
Physical Review B—Condensed Matter and Materials Physics 75 (20), 205131, 2007
Influence of hydrogen-bonding substituents on the cytotoxicity of RAPTA compounds
C Scolaro, TJ Geldbach, S Rochat, A Dorcier, C Gossens, A Bergamo, ...
Organometallics 25 (3), 756-765, 2006
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
P Ollitrault, A Kandala, CF Chen, PK Barkoutsos, A Mezzacapo, M Pistoia, ...
Physical Review Research 2 (4), 043140, 2020
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa
M Cascella, A Magistrato, I Tavernelli, P Carloni, U Rothlisberger
Proceedings of the National Academy of Sciences 103 (52), 19641-19646, 2006
Molecular dynamics in electronically excited states using time-dependent density functional theory
I Tavernelli*, UF Röhrig, U Rothlisberger
Molecular Physics 103 (6-8), 963-981, 2005
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