Alberto Baiardi

Address: Via Consoli del mare 2, 56123 Pisa (PI), ITALYBorn on: July, 16 1991E-mail: alberto.baiardi@sns.it

Education

2014�now PhD in "Methods and Models for Molecular Science" at the Scuola Normale Superiore, Italy.Supervisor: Prof. Vincenzo Barone.

2009�2014 Diploma di licenza, 21/12/2015, Scuola Normale Superiore di Pisa, Italy.

2012�2014 Master in Chemical Sciences, summa cum laude, 24/09/2014, University of Pisa, Italy.Supervisor: Prof. Vincenzo BaroneThesis: �Development of a general time-dependent approach for the calculation of vibronic spectraof medium- and large-size molecules�.

2009�2012 Bachelor in Chemical Sciences, summa cum laude, 16/07/2012, University of Pisa, Italy.Supervisor: Prof. Vincenzo BaroneThesis: �Time-dependent approach to vibronic spectroscopy�.

2004�2009 High school degree, full-marks, Liceo Scienti�co Ulisse Dini, Pisa, Italy.

Participation to National and International Schools/Workshops

Sep. 2015 European Summerschool in Quantum Chemistry 2015 (ESQC15), Torre Normanna (PA), Italy

Dec. 2013 Winter School in Theoretical Chemistry, Helsinki, Finland

Publications on international peer-reviewed journals

2016 J. Bloino, A. Baiardi, M. Biczysko, Aiming at an accurate prediction of vibrational and electronicspectra for medium-to-large molecules: An overview, International Journal of Quantum Chemistry, DOI:10.1002/qua.25188

S. Banerjee, A. Baiardi, J. Bloino, V. Barone, Vibronic e�ects on rates of excitation energy transfer andtheir temperature dependence, Journal of Chemical Theory and Computation, 2016, 12, 2357

M.H. Palmer, T. Ridley, S.V. Ho�mann, N.C. Jones, M. Coreno, M. de Simone, C. Grazioli, T. Zhang,M.Biczysko, A. Baiardi, K.A. Peterson, Combined theoretical and experimental study of the valence,Rydberg and ionic states of chlorobenzene, The Journal of Chemical Physics, 2016, 144, 124302

A. Baiardi, J. Bloino, V. Barone, General formulation of vibronic spectroscopy in internal coordinates,The Journal of Chemical Physics, 2016, 144, 084114

S. Banerjee, A. Baiardi, J. Bloino, V. Barone, Temperature dependence of radiative and non-radiativerates from time-dependent correlation function methods, Journal of Chemical Theory and Computation,2016, 12, 774

2015 D. Licari, A. Baiardi, M. Biczysko, F. Egidi, C. Latouche, V. Barone, Implementation of a graphicaluser interface for the multifrequency virtual spectrometer: the VMS-draw tool, Journal of ComputationalChemistry, 2015, 36, 321

C. Latouche, A. Baiardi, V. Barone, Virtual Eyes Designed for Quantitative Spectroscopy of InorganicComplexes: Vibronic Signatures in the Phosphorescence Spectra of Terpyridine Derivatives, The Journalof Physical Chemistry B, 2015, 119, 7235

M.H. Palmer, T. Ridley, S.V. Ho�mann, N.C. Jones, M. Coreno, M. de Simone, C. Grazioli, M. Biczysko,A. Baiardi, Interpretation of the vacuum ultaviolet photoabsorption spectrum of iodobenzene by ab initiocomputations, The Journal of Chemical Physics, 2015, 142, 134302

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M.H. Palmer, T. Ridley, S.V. Ho�mann, N.C. Jones, M. Coreno, M. de Simone, C. Grazioli, M. Biczysko,A. Baiardi, The ionic states of iodobenzene studied by photoionization and ab initio con�guration inter-action and DFT computations, The Journal of Chemical Physics, 2015, 142, 134301

A. Baiardi, J. Bloino, V. Barone, Accurate simulation of Resonance Raman spectra of �exible molecules:an internal coordinates approach, Journal of Chemical Theory and Computation, 2015, 11, 3267

A. Baiardi, M. Mendolicchio, V. Barone, G. Fronzoni, G.A. Cardenas Jimenez, M. Stener, C. Grazioli, M.de Simone, M. Coreno Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-�uoropyridineand 2, 6-di�uoropyridine: A combined experimental and theoretical assessment, Journal of ChemicalPhysics, 2015, 103, 204102

2014 V. Barone, A. Baiardi, J. Bloino, New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental E�ects on Chiroptical Spectra. Chirality 2014, 26, 228

A. Baiardi, C. Latouche, J. Bloino, V. Barone. Accurate yet feasible computations of resonance Ramanspectra for metal complexes in solution:[Ru(bpy)3]

2+ as a case study, Dalton Transactions, 2014, 43,17610

A. Baiardi, J. Bloino, V. Barone, A general time-dependent route to Resonance-Raman spectroscopyincluding Franck-Condon, Herzberg-Teller and Duschinsky e�ects, The Journal of Chemical Physics,2014, 141, 114108

2013 A. Baiardi, J. Bloino, V. Barone, General time dependent approach to vibronic spectroscopy includingFranck-Condon, Herzberg-Teller, and Duschinsky e�ects, Journal of Chemical Theory and Computation,2013, 9, 4097

2012 V. Barone, A. Baiardi, M. Biczysko, J. Bloino, C. Cappelli, F. Lipparini, Implementation and validationof a multi-purpose virtual spectrometer for large systems in complex environments, Physical ChemistryChemical Physics, 2012, 14, 12404

Presentations in National and International Conferences

2016 A. Baiardi, J. Bloino, V. Barone, �Reliable and cost-e�ective simulation of vibronic properties of �oppymolecules�, V National Meeting of the Theoretical and Computational Chemistry division of the ItalianChemical Society, Pisa, Italy (October 3�5 2016) Talk.

J. Bloino, A. Baiardi, �E�ective vibronic models adapted to �exible medium-large chromophores�,Theory and applications of computational chemistry, Seattle, USA (August 28, September 2 2016)Poster.

A. Baiardi, J. Bloino, V. Barone, �Computational tools for the simulation of vibronic spectra of �exiblesystems�, 251st ACS National Meeting, San Diego, USA (March 13-17 2016) Poster.

2015 J. Bloino, A. Baiardi, �A versatile tool for the simulation and interpretation of chiroptical spectro-scopies�, 15th International conference on chiroptical spectroscopy, Sapporo, Japan (August 30, Septem-ber 3 2015) Talk

J. Bloino, A. Baiardi, V. Barone �A versatile platform for the simulation of vibronic spectra�, 250thACS Meeting, Boston, USA (August 6�20 2015) Talk

A. Baiardi, �DVR-based approaches for the simulation of vibronic spectra of �exible systems�, WinterModeling 2015, Pisa, Italy (December 18, 2015) Talk

2014 A. Baiardi, �Toward fully automated harmonic models in internal coordinates�, Winter Modeling 2014,Pisa, Italy (December 1�2 2014) Talk

A. Baiardi, V.Barone, J.Bloino, �Theoretical prediction of vibronic spectra for �exible molecules: theinternal coordinates approach�, COST CODECS annual meeting, Bratislava, Slovakia (October 23�272014) Talk

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A. Baiardi, J. Bloino, M. Biczysko, V. Barone, �Simulation of accurate vibrationally resolved electronicspectra: the integrated time-dependent and time-independent framework�, International symposium onmolecular spectroscopy, Urbana-Champaign, USA (June 16�20, 2014) Talk

A. Baiardi, C. Cappelli, F. Egidi, �A general and complete implementation for the calculation ofanharmonic Resonance-Raman spectra of solvated systems�, Winter Modeling 2014 - special edition,Modena, Italy (March 13,14 2014), Poster

2012 A. Baiardi, V. Barone, J. Bloino �Simulation of vibrationally resolved electronic spectra: the inte-grated time-dependent and time-independent framework�, Vibrational Optical Activity 2012, Pisa, Italy(September 23�27 2012), Poster

Invited seminars

2015 A. Baiardi �A versatile computational platform for the simulation and interpretation of vibronic spec-tra�, Universitá di Trieste, October 22 2015

Visiting periods in foreign institutions

June 2016 ETH Zürich, Switzerland, group of prof. Markus Reiher.Topic: application of DMRG-based approaches for the calculation of vibrational properties oflarge-size molecules.

November2015

University of Auburn (AL), USA, group of prof. Vincent Ortiz.Topic: development of Green-function based approaches for the simulation of vibronic XPS spec-tra.

January 2015 University of Heidelberg, Germany, group of prof. Andreas Dreuw.Topic: application of the ADC approaches to the simulation of UV and NEXAFS spectra.

Thesis supervision

2016 M.Sc. thesis of Gustavo Adolfo Jimenez Cardenas (Universitá di Trieste, Italy)Topic: Vibronic e�ects on the high-resolution NEXAFS spectra of PAHs

2015 M.Sc. thesis of Damiano Gerosa (Universitá di Milano Bicocca, Italy)Topic: Simulation of luminescence properties of lanthanide complexes with the inclusion of vi-bronic e�ects

2015 B.Sc. thesis of Giorgio Domenichini and Alice Balbi (Scuola Normale Superiore, Pisa, Italy)Topic: DVR-based approaches for the simulation of vibrational properties of �exible systems

Languages and computational skills

Italian: Mother tongue

English: Good skills in reading, writing and oral expression.

German: Fair skills.

French: Basic skills in reading and oral expression.

IT skills: Good skills in Operating Systems GNU/Linux and MS Windows

Advanced skills in Fortran 77/90/95 and Python.

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