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Alberto Baiardi
Alberto Baiardi
IBM Research Zürich
Verified email at ibm.com - Homepage
Title
Cited by
Cited by
Year
General time dependent approach to vibronic spectroscopy including Franck–Condon, Herzberg–Teller, and Duschinsky effects
A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 9 (9), 4097-4115, 2013
3772013
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
3462020
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
A Baiardi, M Reiher
The Journal of Chemical Physics 152 (4), 2020
2342020
Aiming at an accurate prediction of vibrational and electronic spectra for medium‐to‐large molecules: An overview
J Bloino, A Baiardi, M Biczysko
International Journal of Quantum Chemistry 116 (21), 1543-1574, 2016
1982016
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini
Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012
1642012
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS‐Draw tool
D Licari, A Baiardi, M Biczysko, F Egidi, C Latouche, V Barone
Journal of computational chemistry 36 (5), 321-334, 2015
982015
Large-scale quantum dynamics with matrix product states
A Baiardi, M Reiher
Journal of chemical theory and computation 15 (6), 3481-3498, 2019
882019
Hardware efficient quantum algorithms for vibrational structure calculations
PJ Ollitrault, A Baiardi, M Reiher, I Tavernelli
Chemical science 11 (26), 6842-6855, 2020
832020
General formulation of vibronic spectroscopy in internal coordinates
A Baiardi, J Bloino, V Barone
The Journal of chemical physics 144 (8), 2016
752016
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 19 (20), 6933-6991, 2023
742023
Accurate simulation of resonance-Raman spectra of flexible molecules: An internal coordinates approach
A Baiardi, J Bloino, V Barone
Journal of Chemical Theory and Computation 11 (7), 3267-3280, 2015
682015
Vibrational density matrix renormalization group
A Baiardi, CJ Stein, V Barone, M Reiher
Journal of chemical theory and computation 13 (8), 3764-3777, 2017
612017
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects
A Baiardi, J Bloino, V Barone
The Journal of chemical physics 141 (11), 2014
602014
Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
MH Palmer, T Ridley, SV Hoffmann, NC Jones, M Coreno, M De Simone, ...
The Journal of chemical physics 142 (13), 2015
582015
Simulation of vibronic spectra of flexible systems: hybrid DVR-harmonic approaches
A Baiardi, J Bloino, V Barone
Journal of chemical theory and computation 13 (6), 2804-2822, 2017
422017
Optimization of highly excited matrix product states with an application to vibrational spectroscopy
A Baiardi, CJ Stein, V Barone, M Reiher
The Journal of chemical physics 150 (9), 2019
382019
Temperature dependence of radiative and nonradiative rates from time-dependent correlation function methods
S Banerjee, A Baiardi, J Bloino, V Barone
Journal of Chemical Theory and Computation 12 (2), 774-786, 2016
372016
New developments of a multifrequency virtual spectrometer: stereo‐electronic, dynamical, and environmental effects on chiroptical spectra
V Barone, A Baiardi, J Bloino
Chirality 26 (9), 588-600, 2014
362014
Transcorrelated density matrix renormalization group
A Baiardi, M Reiher
The Journal of chemical physics 153 (16), 2020
332020
Expansive quantum mechanical exploration of chemical reaction paths
A Baiardi, SA Grimmel, M Steiner, PL Türtscher, JP Unsleber, ...
Accounts of chemical research 55 (1), 35-43, 2021
322021
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Articles 1–20