• Present position: Senior assistant professor (fixed-term), Department of Industrial Chemistry "Toso Montanari", Università degli Studi di Bologna, Viale del Risorgimento, 4, 40136 BOLOGNA (Tel: 051-2093722; mobile: 320-1848385; E-mail: irene.conti@unibo.it).
Academic discipline: CHIM/02 Physical Chemistry
• EDUCATION:
- PhD (2005-2007) at the Department of Chemistry, University of Bologna (supervision Prof. G. Orlandi and M. Garavelli). Title of thesis: ‘Photophysics and Photochemistry of Conjugated Organic Systems of Biological and Technological Interest’. Discussion 15 April 2008.
- The eleventh European Summerschool in Quantum Chemistry 2007, at hotel villaggio Torre Normanna, Sicily, Italy.
- Degree in CHEMISTRY (Academic Year 2002-2003) at the Department of Chemistry, University of Bologna (supervised by Professors Fernando Bernardi and Marco Garavelli). Title of thesis: ‘Computational Study of Photoisomerisation Mechanisms in Substituted Protonated Schiff Bases and in (1-Cyclohexenyl)phenyldiazene’.
• PROFESSIONAL EXPERIENCE:
- 2019-2022: Fixed-term researcher type (a) (junior), contract funded by the Horizon2020 Project ‘Digital Ontology-based Modelling Environment for Simulation of materials (SimDOME)’, (H2020-NMBP-TO-IND-2018-2020, DT-NMBP-09-2018, GA 814492).
- Postdoctoral researcher associate in the Department of Industrial Chemistry at the University of Bologna, Group leader Prof. Marco Garavelli (01/08/2018 - 31/07/2019).: 'Modelling the photoinduced events and time resolved spectroscopy in nucleobases and thionucleobases'.
- Postdoctoral researcher associate in the Department of Industrial Chemistry at the University of Bologna, Group leader Prof. Marco Garavelli (01/01/2017 - 31/12/2017). European Project 7PQ ERC Advanced Grant 2011 (Multidisciplinary-CoInvestigator Grant), title ‘Modelling photoinduced events and transient spectroscopies in complex photoactive molecular materials’.
- Postdoctoral researcher associate in the Department of Chemistry at the University of Bologna, Group leader Prof. Marco Garavelli (01/01/2015 - 31/12/2016). Research Project: ‘Modelling photoinduced processes in polinucleotides for characterization by two-dimensional ultraviolet spectroscopy', UE PROJECT ERC STRATUS.
- Postdoctoral researcher associate in the Department of Chemistry at the University of Bologna, Group leader Prof. Marco Garavelli (2012 - 2014). Research Project ‘Simulazioni di processi fotoindotti in sistemi biologici e biomimetici'.
- Postdoctoral researcher associate in the Department of Chemistry at the University of Bologna, Group leader Prof. F. Zerbetto – G. Orlandi (2009 - 2012). Research Project: ‘Dinamica di molecole biologiche eccitate'.
- Postdoctoral researcher associate in the Department of Chemistry at the University of Bologna, Group leader Prof. G. Orlandi (2008-2009). Research Project: ‘Dinamica di molecole biologiche eccitate'.
• MATERNITY LEAVES:
FIRST: 20/10/2009 - 25/07/2010
SECOND: 27/08/2011 - 29/05/2012
THIRD: 23/01/2013 - 31/10/2013
• EDITORIAL ACTIVITY:
‘Topical Advisory Panel Member’ in the ‘Physical Chemistry’ section for the open access journal ‘Molecules’, publishing house MDPI (Basel, Switzerland).
Web page link:
https://www.mdpi.com/journal/molecules/topical_advisory_panel/Phys_Chem
• REFEREE ACTIVITY:
Angewandte Chemie (Wiley)
Nature Chemistry (Nature)
Nature Communication (Nature)
Journal of Chemical Theory and Computation (American Chemical Society)
Physical Chemistry Chemical Physics (Royal Society of Chemistry)
Chemistry A European Journal (Wiley)
Chemical Physics. (Elsevier)
Chemical Data Collections (Elsevier)
ChemPhotoChem (Chemistry Europe and Editors)
• PARTICIPATION IN INTERNATIONAL CONFERENCES:
22-23 July 2024
Participation in the meeting II of the PRIN-2020 project entitled ‘Photoreactive Systems upon Irradiation: Modelling and Observation of Vibrational Interactions with the Environment’ (PSI-MOVIE). Roma, Department of Physics. Associated investigators: PI prof. Bloino J.R.M., second PI Rivalta I.
7-12 July 2024
Conference on Computational Physics 2024 (CCP2024), XXXV IUPAP Conference. Oral presentation (20 minutes), title:“Catching ultrafast photo-processes in the act: the virtual time-resolved spectrometer” (Autori: Irene Conti). Thessaloniki (Grecia)
22-24 June 2024
The 12th [Open]Molcas Developers Workshop. Oral Presentation (30 minutes), title: "Computational Tool as a Multifunctional Time-Resolved Spectrometer: the Thiobases Test Case"(Autori: Irene Conti). Toronto, Canada.
10-14 September 2023
Modeling Interactions in Biomolecules IX (MIB23). Oral presentation (30 minutes), title: "Combination of Theoretical models and time-resolved spectroscopies to disentangle ultrafast photoprocesses. Double thionated pyrimidine: a molecular tool with tunable photoproperties"(Autori: Irene Conti, Abed Mohamadzade, Artur Nenov, Marco Garavelli, Susanne Ullrich). Prague (czech republic).
26 May 2023
Participation in the meeting I of the PRIN-2020 project entitled ‘Photoreactive Systems upon Irradiation: Modelling and Observation of Vibrational Interactions with the Environment’ (PSI-MOVIE). Associated investigators: PI prof. Bloino J.R.M., second PI Rivalta I. Bologna, Dipartimento di Chimica Industriale.
2-4 November 2022
Bioinspiration for energy transport at the quantum scale (BETQS 2022).Oral presentation, title: "Combination of time-resolved photoelectron spectroscopy and theoretical models to disentangle ultrafast Photoprocesses of double thinated phyrimidine: a Tool with Tunable Photoproperties."(Autori: Irene Conti, Abed Mohamadzade, Artur Nenov, Marco Garavelli, Susanne Ullrich). Marseille (France)
5-6 May 2022
Participation in th Kick-off meeting of the PRIN-2020 project entitled ‘Photoreactive Systems upon Irradiation: Modelling and Observation of Vibrational Interactions with the Environment’ (PSI-MOVIE). Associated investigators: PI prof. Bloino J.R.M., second PI Rivalta I. Pisa, Scuola Normale Superiore.
24 June 2021
Symposium on Bioluminescence, Chemiluminescence and Luminescence Spectrometry. XIX ISLS 21st ISBC. INVITED LECTURE, Title: "The fate of excited state of TCL acridine-based 1,2-dioxetane derivatives: Singlet or Triplet? A theoretical approach to evaluate the effect of substituents on their luminescence properties."(Autori:Irene Conti, Donato Calabria, Aldo Roda2, Giada Moroni3, Antimo Gioiello3, Marco Garavelli1)
6-7 February 2020
1st Modelling Photoinduced Processes in Molecular Systems Workshop, (Imperial College London). Talk title: “Elucidating the Photo-induced Pedalo-type Motion triggering Azodicarboxamide-Based Molecular Switches (Machines?)" (Autors: Irene Conti, Saeed Amirjalayer, Wybren Jan Buma, Marco Garavelli)
1-5 September 2019
THEORETICAL CHEMISTRY EUCO2019 (Perugia). Talk title: “Deciphering the intersystem crossing decay processes in thiobases: a combination of transient absorption spectroscopy and QM/MM simulations” (Irene Conti, Artur Nenov, Rocio Borrego-Varillas, Danielle C. Teles-Ferreira, Lucia Ganzer, Cristian Manzoni, Ana Maria de Paula, Giulio Cerullo and Marco Garavelli). Organized by European Chemical Society, Division of Computational and Theoretical Chemistry.
14 February 2019
WINTER MODELING 2019 Conference (Aula Magna Centro Congressi, Università degli Studi di Napoli Federico II, Napoli, Italy). Oral talk as invited speaker: “The intersystem crossing decay processes in thiobases: transient absorption spectroscopy and QM/MM simulations” (Irene Conti, Artur Nenov, Rocio Borrego-Varillas, Danielle C. Teles-Ferreira, Lucia Ganzer, Cristian Manzoni, Ana Maria de Paula, Giulio Cerullo and Marco Garavelli).
7 July 2016
ELECTRONIC PROPERTIES OF DNA OLIGOMERS. A training ground for modelling and experiments. (CNR di Pisa). Oral talk: “A comprehensive analysis of the mechanisms leading to Thy-Thy photodimers in DNA double strand” ( Irene Conti, Marco Garavelli)
August 2017
11th Triennial Congress of the World Association of Theoretical and Computational Chemistry WATOC, Aug. 2017, Muenchen, Germany. Poster: ‘Tracking azobenzene photoisomerization with sub-20-fs UV pulses’ (presented by Artur Nenov)
7 July 2016
Meeting "ELECTRONIC PROPERTIES OF DNA OLIGOMERS. A training ground for modelling and experiments" at CNR di Pisa. Oral Talk: ‘A comprehensive analysis of the mechanisms leading to Thy-Thy photodimers in DNA double strand’
11-16 July 2010
XXIII IUPAC Symposium on Photochemisty, Ferrara, Italia. Poster: ‘Adenine deactivation in vacuo and DNA resolved at the CASPT2//CASSCF level’
25-30 September 2007
International Conference of Computational Methods in Sciences and Engineering 2007 (ICCMSE 2007), Corfu, Grecia. Poster presentation: ‘Azobenzene cis-trans photoisomerization mechanism: characterization of the decay ways from the lowest ππ* absorbing singlet state’.
2-15 September 2007
The eleventh European Summer School in Quantum Chemistry 2007, at Hotel Villaggio Torre Normanna, Sicilia, Italia. Poster presentation: ‘Azobenzene cis-trans photoisomerization mechanism: characterization of the decay ways from the lowest pp* absorbing singlet state’.
10-15 September 2006
Gordon Research Conference on ‘Electronic Spectroscopy & Dynamics’ at Les Diablerets, Switzerland.
31 Jenuary-1 February 2008
Hy3M Meeting, Pejo, Italy.
• GRANTS:
• Project funded by IFAB (Artificial Intelligence for Human Development Foundation), entitled ‘Getting the MOST out of Sun’ (GEM). Scientific responsible Prof. Luca Muccioli - Project partner E4 Computer Engineering s.p.a. (08/03/2023 - 07/09/2024)The project involves the characterisation of light-activated molecular switches capable of absorbing and transforming sunlight into chemical energy, available for subsequent release in the form of heat without any emission. Computational skills in the field of quantum mechanics and artificial intelligence are required.
• Involved in the ERC-project "STRucture and dynAmics of biomolecules by Two-dimensional Ultraviolet Spectroscopy (STRATUS, 2012-2017)", financed by the Advanced Grant programme of the European Research Council (ERC-2011-AdG No. 291198) with principal investigators Prof. Giulio Cerullo from the polytechnic university of Milano and Prof. Marco Garavelli from the university of Bologna, aimed at the development of ab initio techniques for simulating nonlinear optical spectroscopy and their application to biomolecules.
• Part of the Horizon2020 project "Digital Ontology-based Modelling Environment for Simulation of materials (SimDOME, since 2019)", call: H2020-NMBP-TO-IND-2018-2020; Topic: DT-NMBP-09-2018, GA 814492 with principal investigator Prof. Emanuele Ghedini from the University of Bologna, with the scope of bringing together codes in materials modelling and molecular spectroscopies within operational productive environment and adapting them to the needs of non-specialized users.
• Part of the PRIN project (2010) Dipartimento di Chimica 'G. Ciamician', Università di Bologna. Title: 'Modellistica di processi molecolari ultraveloci fotoindotti in rodopsine e fotorivelatori molecolari organici'
• TEACHING:
AA 2024/2025
60 teaching hours in the course 66682 - PHYSICS WITH EXERCISES, at the Rimini Campus, Laurea in Chimica e tecnologie per l'ambiente e per i materiali (UniBo).
AA 2023/2024
60 teaching hours in the course 66682 - PHYSICS WITH EXERCISATIONS, at the Campus of Rimini, Laurea in Chimica e tecnologie per l'ambiente e per i materiali (UniBo).
AA 2022/2023
60 teaching hours in the course 66682 - PHYSICS WITH EXERCISES, at the Campus of Rimini, Laurea in Chimica e tecnologie per l'ambiente e per i materiali (UniBo).
AA 2021/2022
25 hours, course leader 66682 - FISICA CON ESERCITAZIONI, Campus di Rimini, Laurea in Chimica e tecnologie per l'ambiente e per i materiali (UniBo).
2 hours, teaching, course 91227-Laser and Computational Methodologies, Dipartimento di Chimica ‘G. Ciamician’
32 hours, laboratory course 91227-Laser and Computational Methodologies, Dipartimento di Chimica ‘G. Ciamician’.
AA 2020/2021
32 hours, laboratory course 91227-Laser and Computational Methodologies, Dipartimento di Chimica ‘G. Ciamician’.
AA 2019/2020
32 hours, laboratory course 66176-Chimica Fisica dei Materiali Funzionali, Dipartimento di Chimica Industriale ‘T. Montanari’
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2018/2019
32 hours, laboratory course 66176-Chimica Fisica dei Materiali Funzionali, Dipartimento di Chimica Industriale ‘T. Montanari’.
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2017/2018
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2016/2017
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2015/2016
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
12 hours, laboratory course 27583-Chimica teorica computazionale.
AA 2014/2015
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
12 hours, laboratory course 27583-Chimica teorica computazionale, Dipartimento di Chimica ‘G. Ciamician’.
AA 2013/2014
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2012/2013
32 hours, laboratory course 66841-Metodologie laser e computazionali, Dipartimento di Chimica ‘G. Ciamician’.
AA 2010/2011
16 hours, laboratory course 27503-METODI TEORICI IN FOTOCHIMICA, Dipartimento di Chimica ‘G. Ciamician’.
AA 2009/2010
16 hours, laboratory course 10589-Chimica Computazionale, Dipartimento di Chimica ‘G. Ciamician’.
AA 2008/2009
16 hours, laboratory course 27503-METODI TEORICI IN FOTOCHIMICA, Dipartimento di Chimica ‘G. Ciamician’.
16 hours, laboratory course 10589-Chimica Computazionale, Dipartimento di Chimica ‘G. Ciamician’.
AA 2007/2008
16 hours, laboratory course 10589-Chimica Computazionale, Dipartimento di Chimica ‘G. Ciamician’.
16 hours, laboratory course 45362-Modelli teorici in fotochimica, Dipartimento di Chimica ‘G. Ciamician’.
AA 2006/2007
16 hours, laboratory course 45362-Modelli teorici in fotochimica, Dipartimento di Chimica ‘G. Ciamician’.
AA 2005/2006
16 hours, laboratory course 45362-Modelli teorici in fotochimica, Dipartimento di Chimica ‘G. Ciamician’.
• SUPERVISOR ACTIVITY
• 2023
Co-supervisor for Michele Pettini's Master's Degree Thesis in Chemical Sciences at the ‘G. Ciamician’ Department of Chemistry, University of Bologna. Ciamician', University of Bologna. Master Degree in Photochemistry and Molecular Materials. Title: A computational study on the deactivation mechanism of red-absorbing azo-benzenes derivatives.
• AA 2020/2021
Supervisor for the Master's Degree Thesis in Chemical Sciences by Mario Taddei, at the Department of Chemistry ‘G. Ciamician', University of Bologna. Course of Study in Photochemistry and Molecular Materials. Title: Computational characterisation of the photophysics and photochemistry of a new molecular switch azodicarboxamide
• AA 2019/2020
Co-supervisor, together with Prof. Marco Garavelli for Marco Romanelli's MSc Thesis in Chemical Sciences, at the Department of Chemistry ‘G. Ciamician' of the University of Bologna. Course of Study in Photochemistry and Molecular Materials. Title: Computational characterisation of epigenetic derivatives of Deoxycytidine
• AA 2019/2020
Co-supervisor, together with Prof. Marco Garavelli for the Master's Thesis in Chemical Sciences by Marziogiuseppe Gentile, at the Department of Chemistry ‘G. Ciamician' of the University of Bologna. Course of Study in Chemistry. Title: Simulation of Linear and Transient Spectroscopy of Tryptophan in Aqueous Solution at QM/MM level.
• 2012
Supervision of Daria Tombolelli's Master Thesis at Department of Chemistry, University of Bologna.
Title: Modelling photoinduced events and environment effects in thymine and BODIPY.
• 2010
Supervision of Daria Tombolelli's Master Thesis at the Department of Chemistry, University of Bologna.
Title: Mechanistic study of photodimerization in DNA.
• 2008
Supervision of Manuela Rizza's BSc Thesis in Chemistry at the Department of Chemistry, University of Bologna.
Title: Photophysical properties of adenine in DNA: chain influence and dimerization effect.
• INSTITUTIONAL ACTIVITIES AND ACADEMIC ASSIGNMENTS
• 2023-2025
Open Science Commission:
Delegate for the Department for Open Science/Open Access
• 2024-2026
Member of the VQR 2020-2024 Commission - as Departmental Open Science Delegate
• 2025-2026
Member of the Graduate Commission for the degree course in INDUSTRIAL CHEMISTRY.
• 2024-2025
Member of the Degree Commission for the degree course in CHEMISTRY AND TECHNOLOGY FOR THE ENVIRONMENT AND MATERIALS, at the Rimini Campus of the University of Bologna.
