M Garavelli

Affiliations

Dipartimento di Chimica industriale "Toso Montanari," Università di Bologna, Viale del Risorgimento 4, 40136 Bologna, Italy.

Publications (41)

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics.

The journal of physical chemistry letters

Avec: Alessandra Picchiotti , Artur Nenov , Angelo Giussani , Valentyn I Prokhorenko , R J Dwayne Miller , Shaul Mukamel , Marco Garavelli

Polymerization Isomerism in Co-M (M = Cu, Ag, Au) Carbonyl Clusters: Synthesis, Structures and Computational Investigation.

Molecules (Basel, Switzerland)

Avec: Cristiana Cesari , Beatrice Berti , Francesco Calcagno , Cristina Femoni , Marco Garavelli , Maria Carmela Iapalucci , Ivan Rivalta , Stefano Zacchini

Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields.

Journal of the American Chemical Society

Avec: Daniel Keefer , Jérémy R Rouxel , Flavia Aleotti , Francesco Segatta , Marco Garavelli , Shaul Mukamel

Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives.

The journal of physical chemistry letters

Avec: Piotr Kabaciński , Marco Romanelli , Eveliina Ponkkonen , Vishal Kumar Jaiswal , Thomas Carell , Marco Garavelli , Giulio Cerullo , Irene Conti

Tracking excited state decay mechanisms of pyrimidine nucleosides in real time.

Nature communications

Avec: Rocío Borrego-Varillas , Artur Nenov , Piotr Kabaciński , Irene Conti , Lucia Ganzer , Aurelio Oriana , Vishal Kumar Jaiswal , Ines Delfino , Oliver Weingart , Cristian Manzoni , Ivan Rivalta , Marco Garavelli , Giulio Cerullo

Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy.

The journal of physical chemistry letters

Avec: Yeonsig Nam , Daniel Keefer , Artur Nenov , Irene Conti , Flavia Aleotti , Francesco Segatta , Jin Yong Lee , Marco Garavelli , Shaul Mukamel

Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction.

Journal of chemical theory and computation

Avec: Jérémy R Rouxel , Daniel Keefer , Flavia Aleotti , Artur Nenov , Marco Garavelli , Shaul Mukamel

Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size.

Journal of chemical theory and computation

Avec: Juliana Cuéllar-Zuquin , Ana Julieta Pepino , Ignacio Fdez Galván , Ivan Rivalta , Francesco Aquilante , Marco Garavelli , Roland Lindh , Javier Segarra-Martí

Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct.

Nature communications

Avec: Partha Malakar , Samira Gholami , Mohammad Aarabi , Ivan Rivalta , Mordechai Sheves , Marco Garavelli , Sanford Ruhman

X-ray linear and non-linear spectroscopy of the ESCA molecule.

The Journal of chemical physics

Avec: Artur Nenov , Francesco Segatta , Adam Bruner , Shaul Mukamel , Marco Garavelli

Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics of Azobenzene.

Journal of chemical theory and computation

Avec: Flavia Aleotti , Lorenzo Soprani , Artur Nenov , Roberto Berardi , Alberto Arcioni , Claudio Zannoni , Marco Garavelli

Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine.

Faraday discussions

Avec: Javier Segarra-Martí , Francesco Segatta , Tristan A Mackenzie , Artur Nenov , Ivan Rivalta , Michael J Bearpark , Marco Garavelli

In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye.

Journal of chemical theory and computation

Avec: Francesco Segatta , Mattia Russo , Daniel R Nascimento , Davide Presti , Francesco Rigodanza , Artur Nenov , Andrea Bonvicini , Alberto Arcioni , Shaul Mukamel , Margherita Maiuri , Luca Muccioli , Niranjan Govind , Giulio Cerullo , Marco Garavelli

Control of Protonated Schiff Base Excited State Decay within Visual Protein Mimics: A Unified Model for Retinal Chromophores.

Chemistry (Weinheim an der Bergstrasse, Germany)

Avec: Baptiste Demoulin , Margherita Maiuri , Tetyana Berbasova , James H Geiger , Babak Borhan , Marco Garavelli , Giulio Cerullo , Ivan Rivalta

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.

Journal of chemical theory and computation

Avec: Daniil A Fedotov , Alexander C Paul , Paolo Posocco , Fabrizio Santoro , Marco Garavelli , Henrik Koch , Sonia Coriani , Roberto Improta

Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol.

Journal of chemical theory and computation

Avec: Francesco Segatta , Daniel Aranda , Flavia Aleotti , Francesco Montorsi , Shaul Mukamel , Marco Garavelli , Fabrizio Santoro , Artur Nenov

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter.

Nature communications

Avec: Gonzalo Díaz Mirón , Jonathan A Semelak , Luca Grisanti , Alex Rodriguez , Irene Conti , Martina Stella , Jayaramakrishnan Velusamy , Nicola Seriani , Nadja Došlić , Ivan Rivalta , Marco Garavelli , Dario A Estrin , Gabriele S Kaminski Schierle , Mariano C González Lebrero , Ali Hassanali , Uriel N Morzan

Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions.

Journal of chemical theory and computation

Avec: Francesco Segatta , Daniel Aranda Ruiz , Flavia Aleotti , Martha Yaghoubi , Shaul Mukamel , Marco Garavelli , Fabrizio Santoro , Artur Nenov

Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties.

Journal of the American Chemical Society

Avec: Abed Mohamadzade , Artur Nenov , Marco Garavelli , Irene Conti , Susanne Ullrich

Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes.

Journal of chemical theory and computation

Avec: Mohammad Aarabi , Daniel Aranda , Samira Gholami , Santosh Kumar Meena , Frederic Lerouge , Yann Bretonniere , Ilke Gürol , Patrice Baldeck , Stephane Parola , Fabienne Dumoulin , Javier Cerezo , Marco Garavelli , Fabrizio Santoro , Ivan Rivalta

WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation.

Journal of chemical theory and computation

Avec: Alessandro Loreti , Victor Manuel Freixas , Davide Avagliano , Francesco Segatta , Huajing Song , Sergei Tretiak , Shaul Mukamel , Marco Garavelli , Niranjan Govind , Artur Nenov

Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level.

The Journal of chemical physics

Avec: V K Jaiswal , F Montorsi , F Aleotti , F Segatta , Daniel Keefer , Shaul Mukamel , A Nenov , I Conti , M Garavelli

Tailoring Spectral and Photochemical Properties of Bioinspired Retinal Mimics by in Silico Engineering.

Angewandte Chemie (International ed. in English)

Avec: Mohsen M T El-Tahawy , Irene Conti , Matteo Bonfanti , Artur Nenov , Marco Garavelli

Modern quantum chemistry with [Open]Molcas.

The Journal of chemical physics

Avec: Francesco Aquilante , Jochen Autschbach , Alberto Baiardi , Stefano Battaglia , Veniamin A Borin , Liviu F Chibotaru , Irene Conti , Luca De Vico , Mickaël Delcey , Ignacio Fdez Galván , Nicolas Ferré , Leon Freitag , Marco Garavelli , Xuejun Gong , Stefan Knecht , Ernst D Larsson , Roland Lindh , Marcus Lundberg , Per Åke Malmqvist , Artur Nenov , Jesper Norell , Michael Odelius , Massimo Olivucci , Thomas B Pedersen , Laura Pedraza-González , Quan M Phung , Kristine Pierloot , Markus Reiher , Igor Schapiro , Javier Segarra-Martí , Francesco Segatta , Luis Seijo , Saumik Sen , Dumitru-Claudiu Sergentu , Christopher J Stein , Liviu Ungur , Morgane Vacher , Alessio Valentini , Valera Veryazov

Ultrafast Spectroscopy: State of the Art and Open Challenges.

Journal of the American Chemical Society

Avec: Margherita Maiuri , Marco Garavelli , Giulio Cerullo

On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids.

Nanoscale

Avec: Santosh Kumar Meena , Frederic Lerouge , Patrice Baldeck , Chantal Andraud , Marco Garavelli , Stephane Parola , Marialore Sulpizi , Ivan Rivalta

Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides.

Molecules (Basel, Switzerland)

Avec: Francesco Segatta , David M Rogers , Naomi T Dyer , Ellen E Guest , Zhuo Li , Hainam Do , Artur Nenov , Marco Garavelli , Jonathan D Hirst

Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes.

Journal of chemical theory and computation

Avec: Francesco Montorsi , Francesco Segatta , Artur Nenov , Shaul Mukamel , Marco Garavelli

Ultrafast X-Ray Probes of Elementary Molecular Events.

Annual review of physical chemistry

Avec: Daniel Keefer , Stefano M Cavaletto , Jérémy R Rouxel , Marco Garavelli , Haiwang Yong , Shaul Mukamel

Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM.

Journal of computational chemistry

Avec: Davide Avagliano , Matteo Bonfanti , Artur Nenov , Marco Garavelli

Effects of Surface Pretreatments on Bond Strength and Morphology of Aprismatic Enamel.

The journal of adhesive dentistry

Avec: Allegra Comba , Andrea Baldi , Martina Garavelli , Tatjana Maravic , Lorenzo Breschi , Annalisa Mazzoni , Claudia Mazzitelli , Nicola Scotti

Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study.

Chemical science

Avec: Yeonsig Nam , Huajing Song , Victor M Freixas , Daniel Keefer , Sebastian Fernandez-Alberti , Jin Yong Lee , Marco Garavelli , Sergei Tretiak , Shaul Mukamel

Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state.

Nature communications

Avec: Vishal Kumar Jaiswal , Daniel Aranda Ruiz , Vasilis Petropoulos , Piotr Kabaciński , Francesco Montorsi , Lorenzo Uboldi , Simone Ugolini , Shaul Mukamel , Giulio Cerullo , Marco Garavelli , Fabrizio Santoro , Artur Nenov

Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Going.

Journal of the American Chemical Society

Avec: Irene Conti , Giulio Cerullo , Artur Nenov , Marco Garavelli

Photoinduced Forward and Backward Pedalo-Type Motion of a Molecular Switch.

The journal of physical chemistry letters

Avec: Irene Conti , Wybren Jan Buma , Marco Garavelli , Saeed Amirjalayer

Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods.

Journal of chemical theory and computation

Avec: Jacopo Marcheselli , Denis Chateau , Frederic Lerouge , Patrice Baldeck , Chantal Andraud , Stephane Parola , Stefano Baroni , Stefano Corni , Marco Garavelli , Ivan Rivalta

Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems.

Chemical reviews

Avec: Francesco Segatta , Lorenzo Cupellini , Marco Garavelli , Benedetta Mennucci

Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections.

Faraday discussions

Avec: Francesco Segatta , Artur Nenov , Silvia Orlandi , Alberto Arcioni , Shaul Mukamel , Marco Garavelli

Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction.

Proceedings of the National Academy of Sciences of the United States of America

Avec: Daniel Keefer , Flavia Aleotti , Jérémy R Rouxel , Francesco Segatta , Bing Gu , Artur Nenov , Marco Garavelli , Shaul Mukamel

iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software.

Journal of computational chemistry

Avec: Francesco Segatta , Artur Nenov , Daniel R Nascimento , Niranjan Govind , Shaul Mukamel , Marco Garavelli

Manipulating Core Excitations in Molecules by X-Ray Cavities.

Physical review letters

Avec: Bing Gu , Artur Nenov , Francesco Segatta , Marco Garavelli , Shaul Mukamel

Réseau de co-auteurs

Marco Garavelli 39 collaborations

Artur Nenov 23 collaborations

Shaul Mukamel 18 collaborations

Francesco Segatta 16 collaborations

Ivan Rivalta 10 collaborations

Irene Conti 9 collaborations

Daniel Keefer 7 collaborations

Flavia Aleotti 7 collaborations

Giulio Cerullo 7 collaborations

Fabrizio Santoro 5 collaborations

Jérémy R Rouxel 4 collaborations

Piotr Kabaciński 3 collaborations

Vishal Kumar Jaiswal 3 collaborations

Javier Segarra-Martí 3 collaborations

Alberto Arcioni 3 collaborations

Margherita Maiuri 3 collaborations

Niranjan Govind 3 collaborations

Francesco Montorsi 3 collaborations

Frederic Lerouge 3 collaborations

Patrice Baldeck 3 collaborations

Stephane Parola 3 collaborations

Yeonsig Nam 2 collaborations

Jin Yong Lee 2 collaborations

Ignacio Fdez Galván 2 collaborations

Francesco Aquilante 2 collaborations

Roland Lindh 2 collaborations

Samira Gholami 2 collaborations

Mohammad Aarabi 2 collaborations

Daniel R Nascimento 2 collaborations

Daniel Aranda 2 collaborations

Daniel Aranda Ruiz 2 collaborations

Santosh Kumar Meena 2 collaborations

Davide Avagliano 2 collaborations

Huajing Song 2 collaborations

Sergei Tretiak 2 collaborations

Matteo Bonfanti 2 collaborations

Chantal Andraud 2 collaborations

Bing Gu 2 collaborations

Alessandra Picchiotti 1 collaboration

Angelo Giussani 1 collaboration

Valentyn I Prokhorenko 1 collaboration

R J Dwayne Miller 1 collaboration

Cristiana Cesari 1 collaboration

Beatrice Berti 1 collaboration

Francesco Calcagno 1 collaboration

Cristina Femoni 1 collaboration

Maria Carmela Iapalucci 1 collaboration

Stefano Zacchini 1 collaboration

Marco Romanelli 1 collaboration

Eveliina Ponkkonen 1 collaboration

Thomas Carell 1 collaboration

Rocío Borrego-Varillas 1 collaboration

Lucia Ganzer 1 collaboration

Aurelio Oriana 1 collaboration

Ines Delfino 1 collaboration

Oliver Weingart 1 collaboration

Cristian Manzoni 1 collaboration

Juliana Cuéllar-Zuquin 1 collaboration

Ana Julieta Pepino 1 collaboration

Partha Malakar 1 collaboration

Mordechai Sheves 1 collaboration

Sanford Ruhman 1 collaboration

Adam Bruner 1 collaboration

Lorenzo Soprani 1 collaboration

Roberto Berardi 1 collaboration

Claudio Zannoni 1 collaboration

Tristan A Mackenzie 1 collaboration

Michael J Bearpark 1 collaboration

Mattia Russo 1 collaboration

Davide Presti 1 collaboration

Francesco Rigodanza 1 collaboration

Andrea Bonvicini 1 collaboration

Luca Muccioli 1 collaboration

Baptiste Demoulin 1 collaboration

Tetyana Berbasova 1 collaboration

James H Geiger 1 collaboration

Babak Borhan 1 collaboration

Daniil A Fedotov 1 collaboration

Alexander C Paul 1 collaboration

Paolo Posocco 1 collaboration

Henrik Koch 1 collaboration

Sonia Coriani 1 collaboration

Roberto Improta 1 collaboration

Gonzalo Díaz Mirón 1 collaboration

Jonathan A Semelak 1 collaboration

Luca Grisanti 1 collaboration

Alex Rodriguez 1 collaboration

Martina Stella 1 collaboration

Jayaramakrishnan Velusamy 1 collaboration

Nicola Seriani 1 collaboration

Nadja Došlić 1 collaboration

Dario A Estrin 1 collaboration

Gabriele S Kaminski Schierle 1 collaboration

Mariano C González Lebrero 1 collaboration

Ali Hassanali 1 collaboration

Uriel N Morzan 1 collaboration

Martha Yaghoubi 1 collaboration

Abed Mohamadzade 1 collaboration

Susanne Ullrich 1 collaboration

Yann Bretonniere 1 collaboration

Ilke Gürol 1 collaboration

Fabienne Dumoulin 1 collaboration

Javier Cerezo 1 collaboration

Alessandro Loreti 1 collaboration

Victor Manuel Freixas 1 collaboration

V K Jaiswal 1 collaboration

F Montorsi 1 collaboration

F Aleotti 1 collaboration

F Segatta 1 collaboration

A Nenov 1 collaboration

I Conti 1 collaboration

Mohsen M T El-Tahawy 1 collaboration

Jochen Autschbach 1 collaboration

Alberto Baiardi 1 collaboration

Stefano Battaglia 1 collaboration

Veniamin A Borin 1 collaboration

Liviu F Chibotaru 1 collaboration

Luca De Vico 1 collaboration

Mickaël Delcey 1 collaboration

Nicolas Ferré 1 collaboration

Leon Freitag 1 collaboration

Xuejun Gong 1 collaboration

Stefan Knecht 1 collaboration

Ernst D Larsson 1 collaboration

Marcus Lundberg 1 collaboration

Per Åke Malmqvist 1 collaboration

Jesper Norell 1 collaboration

Michael Odelius 1 collaboration

Massimo Olivucci 1 collaboration

Thomas B Pedersen 1 collaboration

Laura Pedraza-González 1 collaboration

Quan M Phung 1 collaboration

Kristine Pierloot 1 collaboration

Markus Reiher 1 collaboration

Igor Schapiro 1 collaboration

Luis Seijo 1 collaboration

Saumik Sen 1 collaboration

Dumitru-Claudiu Sergentu 1 collaboration

Christopher J Stein 1 collaboration

Liviu Ungur 1 collaboration

Morgane Vacher 1 collaboration

Alessio Valentini 1 collaboration

Valera Veryazov 1 collaboration

Marialore Sulpizi 1 collaboration

David M Rogers 1 collaboration

Naomi T Dyer 1 collaboration

Ellen E Guest 1 collaboration

Zhuo Li 1 collaboration

Hainam Do 1 collaboration

Jonathan D Hirst 1 collaboration

Stefano M Cavaletto 1 collaboration

Haiwang Yong 1 collaboration

Allegra Comba 1 collaboration

Andrea Baldi 1 collaboration

Martina Garavelli 1 collaboration

Tatjana Maravic 1 collaboration

Lorenzo Breschi 1 collaboration

Annalisa Mazzoni 1 collaboration

Claudia Mazzitelli 1 collaboration

Nicola Scotti 1 collaboration

Victor M Freixas 1 collaboration

Sebastian Fernandez-Alberti 1 collaboration

Vasilis Petropoulos 1 collaboration

Lorenzo Uboldi 1 collaboration

Simone Ugolini 1 collaboration

Wybren Jan Buma 1 collaboration

Saeed Amirjalayer 1 collaboration

Jacopo Marcheselli 1 collaboration

Denis Chateau 1 collaboration

Stefano Baroni 1 collaboration

Stefano Corni 1 collaboration

Lorenzo Cupellini 1 collaboration

Benedetta Mennucci 1 collaboration

Silvia Orlandi 1 collaboration