Short bio:

After the Master Degree in Chemistry at Parma University (Italy), with a Physical Chemistry curriculum, in 2011 received his PhD in Chemical Sciences in the same university as both experimentalist and theoretician working on a  thesis project "Charge and energy transfer in functional molecular materials: spectroscopy and models". From 2011 to 2013 he was Post-doc at the University of Mons (Belgium) in the "Chemistry of Novel Material" group of prof. D Beljonne and J. Cornil, where he was involved in two UE projects (OneP, MMM@HPC), working mainly in the field of organic molecular electronic (development of computational approaches for charge and exciton transport in molecular materials). From 2013 to 2016 Luca was Post-doc at the "International Centre for Theoretical Physics" (ICTP) in Trieste, (Italy) working in computational material science and biophysics, including modeling of biomaterial and biomolecule from morphology to electronic structure and optical properties. From December 2016 to September 2018 he has joined SISSA (Trieste, Italy) as a Post-doc, working on modeling and computation of optical properties of bio-molecules. He joined IRB in October 2018. Beyond academics, he is interested in science communication and dissemination.

Coordinator of:

• "Hybrid modeling for excited states in novel molecular materials: from optical properties to exciton dynamics" (HYMO4EXNOMOMA), Croatian Science Fundation (2021-2025), https://sites.google.com/view/hymo4exnomoma 

Member of:

• “Exploring halide 2D and quasi-2D perovskites: from rational structural design to enhanced efficiency and stability” (2DPEROEXLORE), Croatian Science Fundation (2019-2023), https://jasminkapopovic5.wixsite.com/2dperoexplore
• Multifunctional nanocarriers for nonlinear microscopy: new tools for biology and medicine” (Micro4Nano),
  EU H2020-MSCA-RISE (2021-2024)

Research interests:

• Computational material science: modeling material properties from electronic structure to morphology and dynamics. Development of computational approaches for charges and excitons in molecular and hybrid materials, transport and role of electron-phonon coupling.
• Biological matter and computational biophysics: architectures and dynamics of biological molecules and materials
• Chemical physics and theoretical spectroscopy: computational description of excited states and optical properties in molecular and bio- materials, aggregates and molecules.

Izvorni znanstveni rad

• Stolar, Tomislav; Pearce, Ben K.D.; Etter, Martin; Truong, Khai-Nghi; Ostojić, Tea; Krajnc, Andraž; Mali, Gregor; Rossi, Barbara; Molčanov, Krešimir; Lončarić, Ivor et al. | Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity // iScience (Cambridge), 27 (2024), 6; 109894, 13. doi: 10.1016/j.isci.2024.109894

  doichemrxiv.orgwww.sciencedirect.comdx.doi.org

• Górski, Krzysztof; Ostojić, Tea; Banasiewicz, Marzena; Ouellette, Erik T.; Grisanti, Luca; Gryko, Daniel T. | Conversion of Ketones into Blue-Emitting Electron-Deficient Benzofurans // Chemistry : a European journal, 29 (2023), 21; e202203464, 9. doi: 10.1002/chem.202203464

  doidoi.orgchemistry-europe.onlinelibrary.wiley.com

• Ovčar, Juraj ; Grisanti, Luca ; Mladineo, Bruno ; Djurišić, Aleksandra B. ; Popović, Jasminka ; Lončarić, Ivor | Crystal structure prediction of quasi-two-dimensional lead halide perovskites // Physical review. B, 107 (2023), 17; 174109, 12. doi: 10.1103/physrevb.107.174109

  doijournals.aps.orgarxiv.org

• Leung, Tik Lun ; Ren, Zhilin ; Syed, Ali Asgher ; Grisanti, Luca ; Djurišić, Aleksandra B. ; Popović, Jasminka | Photoinduced Segregation Behavior in 2D Mixed Halide Perovskite: Effects of Light and Heat // ACS energy letters, 7 (2022), 10; 3500-3508. doi: 10.1021/acsenergylett.2c01688

  doipubs.acs.orgfulir.irb.hr

• Ovčar, Juraj ; Leung, Tik Lun ; Grisanti, Luca ; Skoko, Željko ; Vrankić, Martina ; Low, Kam-Hung ; Wang, Shixun ; You, Pei-Ying ; Ahn, Hyeyoung ; Lončarić, Ivor et al. | Mixed Halide Ordering as a Tool for the Stabilization of Ruddlesden–Popper Structures // Chemistry of materials, 34 (2022), 10; 4286-4297. doi: 10.1021/acs.chemmater.1c03815

  doipubs.acs.orgdoi.org

• Liu, Fangzhou ; Qin, Xinshun ; Han, Bing ; Chan, Christopher C. S. ; Ma, Chao ; Leung, Tik Lun ; Chen, Wei ; He, Yanling ; Lončarić, Ivor ; Grisanti, Luca et al. | Enhanced Light Emission Performance of Mixed Cation Perovskite Films—The Effect of Solution Stoichiometry on Crystallization // Advanced optical materials, 9 (2021), 21; 2100393, 8. doi: 10.1002/adom.202100393

  doionlinelibrary.wiley.comdoi.org

• Grisanti, Luca ; Sapunar, Marin ; Hassanali, Ali ; Došlić, Nađa | Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study // Journal of the American Chemical Society, 142 (2020), 42; 18042-18049. doi: 10.1021/jacs.0c07134

  doipubs.acs.orgdoi.org

• Tam, Ho Won ; Leung, Tik Lun ; Sun, Wenting ; Liu, Fangzhou ; Ma, Chao ; Kam, Chun Sing ; Lončarić, Ivor ; Grisanti, Luca ; Ovčar, Juraj ; Skoko, Željko et al. | Phase control for quasi-2D blue emitters by spacer cation engineering // Journal of Materials Chemistry C, 8 (2020), 11052-11060. doi: 10.1039/d0tc01631d

  doipubs.rsc.orgdoi.orgfulir.irb.hr

• Musumeci, Chiara ; Osella, Silvio ; Ferlauto, Laura ; Niedzialek, Dorota ; Grisanti, Luca ; Bonacchi, Sara ; Jouaiti, Abdelaziz ; Milita, Silvia ; Ciesielski, Artur ; Beljonne, David et al. | Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials // Nanoscale, 8 (2016), 4; 2386-2394. doi: 10.1039/c5nr07776a

  doi

• Grisanti, Luca ; Pinotsi, Dorothea ; Gebauer, Ralph ; Kaminski Schierle, Gabriele S. ; Hassanali, Ali A. | A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils // PCCP. Physical chemistry chemical physics, 19 (2017), 5; 4030-4040. doi: 10.1039/c6cp07564a

  doi

• Jong, KwangHyok ; Ansari, Narjes ; Grisanti, Luca ; Hassanali, Ali | Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations // Journal of molecular liquids, 263 (2018), 501-509. doi: 10.1016/j.molliq.2018.05.011

  doiwww.sciencedirect.com

• Jong, Kwang Hyok ; Azar, Yavar T. ; Grisanti, Luca ; Stephens, Amberley D. ; Jones, Saul T. E. ; Credgington, Dan ; Kaminski Schierle, Gabriele S. ; Hassanali, Ali | Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins // PCCP. Physical chemistry chemical physics, 21 (2019), 43; 23931-23942. doi: 10.1039/c9cp04648h

  doipubs.rsc.org

• Ratcliff, Laura E. ; Grisanti, Luca ; Genovese, Luigi ; Deutsch, Thierry ; Neumann, Tobias ; Danilov, Denis ; Wenzel, Wolfgang ; Beljonne, David ; Cornil, Jérôme | Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods // Journal of chemical theory and computation, 11 (2015), 5; 2077-2086. doi: 10.1021/acs.jctc.5b00057

  doi

• Grisanti, Luca ; Olivier, Yoann ; Wang, Linjun ; Athanasopoulos, Stavros ; Cornil, Jérôme ; Beljonne, David | Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal // Physical review. B, Condensed matter and materials physics, 88 (2013), 3; 035450, 8. doi: 10.1103/physrevb.88.035450

  doi

• Sissa, Cristina ; Calabrese, Valentina ; Cavazzini, Marco ; Grisanti, Luca ; Terenziani, Francesca ; Quici, Silvio ; Painelli, Anna | Tuning the Nature of the Fluorescent State: A Substituted Polycondensed Dye as a Case Study // Chemistry : a European journal, 19 (2012), 3; 924-935. doi: 10.1002/chem.201202154

  doi

• Grisanti, Luca ; Terenziani, Francesca ; Sissa, Cristina ; Cavazzini, Marco ; Rizzo, Fabio ; Orlandi, Simonetta ; Painelli, Anna | Polar Fluorenes and Spirobifluorenes: Fluorescence and Fluorescence Anisotropy Spectra // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (2011), 39; 11420-11430. doi: 10.1021/jp206592s

  doi

• D'Avino, Gabriele ; Grisanti, Luca ; Painelli, Anna ; Guasch, Judith ; Ratera, Imma ; Veciana, Jaume | Cooperativity from electrostatic interactions: understanding bistability in molecular crystals // Crystengcomm, 11 (2009), 10; 2040-2047. doi: 10.1039/b907184a

  doi

• Grisanti, Luca ; Sissa, Cristina ; Terenziani, Francesca ; Painelli, Anna ; Roberto, Dominique ; Tessore, Francesca ; Ugo, Renato ; Quici, Silvio ; Fortunati, Ilaria ; Garbin, Eleonora et al. | Enhancing the efficiency of two-photon absorption by metal coordination // PCCP. Physical chemistry chemical physics, 11 (2009), 41; 9450-9457. doi: 10.1039/b911268e

  doi

• Leung, Tik Lun ; Tam, Ho Won ; Liu, Fangzhou ; Lin, Jingyang ; Ng, Alan Man Ching ; Chan, Wai Kin ; Chen, Wei ; He, Zhubing ; Lončarić, Ivor ; Grisanti, Luca et al. | Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite Films // Advanced optical materials, 8 (2019), 4; 1901679, 11. doi: 10.1002/adom.201901679

  doionlinelibrary.wiley.comdoi.orgfulir.irb.hr

• Qaisrani, Muhammad Nawaz ; Grisanti, Luca ; Gebauer, Ralph ; Hassanali, Ali | Structural and dynamical heterogeneities at glutamine–water interfaces // PCCP. Physical chemistry chemical physics, 21 (2019), 29; 16083-16094. doi: 10.1039/c9cp02259g

  doipubs.rsc.org

• Guasch, Judith ; Grisanti, Luca ; Jung, Stefan ; Morales, Dayana ; D’Avino, Gabriele ; Souto, Manuel ; Fontrodona, Xavier ; Painelli, Anna ; Renz, Franz ; Ratera, Imma et al. | Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength // Chemistry of materials, 25 (2013), 5; 808-814. doi: 10.1021/cm400147p

  doi

• Todescato, F. ; Fortunati, I. ; Carlotto, S. ; Ferrante, C. ; Grisanti, L. ; Sissa, C. ; Painelli, A. ; Colombo, A. ; Dragonetti, C. ; Roberto, D. | Dimers of polar chromophores in solution: role of excitonic interactions in one- and two-photon absorption properties // PCCP. Physical chemistry chemical physics, 13 (2011), 23; 11099-11109. doi: 10.1039/c0cp02736g

  doi

• Guasch, Judith ; Grisanti, Luca ; Lloveras, Vega ; Vidal-Gancedo, José ; Souto, Manuel ; Morales, Dayana C. ; Vilaseca, Marta ; Sissa, Cristina ; Painelli, Anna ; Ratera, Imma et al. | Induced Self-Assembly of a Tetrathiafulvalene-Based Open-Shell Dyad through Intramolecular Electron Transfer // Angewandte Chemie. International edition, 51 (2012), 44; 11024-11028. doi: 10.1002/anie.201203448

  doi

• Grisanti, Luca ; D’Avino, Gabriele ; Painelli, Anna ; Guasch, Judith ; Ratera, Imma ; Veciana, Jaume | Essential State Models for Solvatochromism in Donor−Acceptor Molecules: The Role of the Bridge // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 113 (2009), 14; 4718-4725. doi: 10.1021/jp809771d

  doi

• Döbbelin, Markus ; Ciesielski, Artur ; Haar, Sébastien ; Osella, Silvio ; Bruna, Matteo ; Minoia, Andrea ; Grisanti, Luca ; Mosciatti, Thomas ; Richard, Fanny ; Prasetyanto, Eko Adi et al. | Light-enhanced liquid-phase exfoliation and current photoswitching in graphene–azobenzene composites // Nature communications, 7 (2016), 1; 11090, 10. doi: 10.1038/ncomms11090

  doi

• Guasch, Judith ; Grisanti, Luca ; Souto, Manuel ; Lloveras, Vega ; Vidal-Gancedo, José ; Ratera, Imma ; Painelli, Anna ; Rovira, Concepció ; Veciana, Jaume | Intra- and Intermolecular Charge Transfer in Aggregates of Tetrathiafulvalene-Triphenylmethyl Radical Derivatives in Solution // Journal of the American Chemical Society, 135 (2013), 18; 6958-6967. doi: 10.1021/ja400281b

  doi

• Jong, KwangHyok ; Grisanti, Luca ; Hassanali, Ali | Hydrogen Bond Networks and Hydrophobic Effects in the Amyloid β30–35 Chain in Water: A Molecular Dynamics Study // Journal of chemical information and modeling, 57 (2017), 7; 1548-1562. doi: 10.1021/acs.jcim.7b00085

  doi

• Rusishvili, Mariami ; Grisanti, Luca ; Laporte, Sara ; Micciarelli, Marco ; Rosa, Marta ; Robbins, Rebecca J. ; Collins, Tom ; Magistrato, Alessandra ; Baroni, Stefano | Unraveling the molecular mechanisms of color expression in anthocyanins // PCCP. Physical chemistry chemical physics, 21 (2019), 17; 8757-8766. doi: 10.1039/c9cp00747d

  doipubs.rsc.org

• D’Avino, Gabriele ; Grisanti, Luca ; Guasch, Judith ; Ratera, Imma ; Veciana, Jaume ; Painelli, Anna | Bistability in Fc-PTM Crystals: The Role of Intermolecular Electrostatic Interactions // Journal of the American Chemical Society, 130 (2008), 36; 12064-12072. doi: 10.1021/ja803049g

  doi

• Pinotsi, Dorothea ; Grisanti, Luca ; Mahou, Pierre ; Gebauer, Ralph ; Kaminski, Clemens F. ; Hassanali, Ali ; Kaminski Schierle, Gabriele S. | Proton Transfer and Structure-Specific Fluorescence in Hydrogen Bond-Rich Protein Structures // Journal of the American Chemical Society, 138 (2016), 9; 3046-3057. doi: 10.1021/jacs.5b11012

  doi

• Girlando, Alberto ; Grisanti, Luca ; Masino, Matteo ; Bilotti, Ivano ; Brillante, Aldo ; Della Valle, Raffaele G. ; Venuti, Elisabetta | Peierls and Holstein carrier-phonon coupling in crystalline rubrene // Physical review. B, Condensed matter and materials physics, 82 (2010), 3; 035208, 8. doi: 10.1103/physrevb.82.035208

  doi

Prošireni sažetak izlaganja sa skupa

• Popović, Jasminka ; Djurišić, Aleksandra, Lončarić, Ivor ; Grisanti, Luca | 2D and quasi 2D perovskites // Book of Abstract of workshop on solar energy materails. | 2019. str. 14-15

Sažetak izlaganja sa skupa

• Ostojić, Tea; Gunde, Miha; Grisanti, Luca | Enhanced Sampling of Nucleobase Assemblies in Water: Extracting Structural Motifs From Simulations // Computational Chemistry Day 2022 : book of abstracts. | Zagreb: Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2022. str. 38-38

• Ostojić, Tea; Grisanti, Luca | Interactions in nucleobase assemblies in water: a methodological study on uracil dimer // VI. simpozij supramolekulske kemije : knjiga sažetaka / VI. simpozij supramolekulske kemije : knjiga sažetaka = Supramolecular Chemistry 2023 : Book of abstracts / Frkanec, Leo; Namjesnik, Danijel; Tomišić, Vladislav (ur.). | Zagreb: Institut Ruđer Bošković, 2023. str. 22-22

• Ostojic, Tea ; Gunde, Miha ; Grisanti, Luca | Enhanced sampling of nucleobase assemblies in water: extracting structural motifs from simulations // PSI-K 2022 abstracts book. | 2022. str. 95-95

  drive.google.com

• Ostojić, Tea ; Stolar, Tomislav ; Užarević, Krunoslav ; Meštrović, Ernest ; Grisanti, Luca | Hydrogen Bonding vs. π-stacking Interactions in Nucleobase Assemblies via Enhanced-Sampling MD // 12th European Symposium on Computing π-conjugated Compounds : Book of Abstracts. | 2022. str. 49-49

• Ostojić, Tea ; Stolar, Tomislav ; Užarević, Krunoslav ; Meštrović, Ernest ; Grisanti, Luca | Nucleobase Assemblies via Enhanced- sampling MD: Understanding Biological Matter From Its Molecular Building Blocks / Samoudruživanje nukleinskih baza poboljšanim uzorkovanjem MD: razumijevanje biološke tvari iz perspektive molekulskih gradivnih blokova // Simpozij studenata doktorskih studija PMF-a : knjiga sažetaka = 6th Faculty of Science PhD student symposium. | Zagreb: Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2022. str. 278-279

  www.pmf.unizg.hr

• Popović, Jasminka ; Djurišić, Aleksandra ; Lončarić, Ivor ; Grisanti, Luca ; Vrankić, Martina ; Skoko, Željko. | 2D layered hybrid inorganic-organic perovskites for advanced light emitting applications // Book of Abstract of 5th Conference of Serbian Ceramic Society. | Beograd: Institut za multidisciplinarna istraživanja, 2019. str. 27-27

  opentechnicum.com

• Popović, Jasminka ; Djurišić, Aleksandra ; Lončarić, Ivor ; Grisanti, Luca ; Vrankić, Martina ; Skoko, Željko | From rational structural design to enhanced efficiency and stability of light-emitting diodes: 2D and quasi 2D hybrid perovskites // Book of abstracts of 26th Croatian meeting of chemists and chemical engineers. | 2019. str. 23-23

Neobjavljeni prilog sa skupa

• Ostojić, Tea; Grisanti, Luca | Interactions in nucleobase assemblies in water: a methodological study on uracil dimer // 14th Symposium on Computing Pi-Conjugated Compounds | Donostia-San Sebastián, Španjolska, 08.02.2024-09.02.2024

  e.pcloud.link

• Stolar, Tomislav ; Etter, Martin ; Krajnc, Andraž ; Mali, Gregor ; Rossi, Barbara ; Lončarić, Ivor ; Molčanov, Krešimir ; Đilović, Ivica ; Grisanti, Luca ; Meštrović, Ernest et al. | The Emergence of Prebiotic Molecular Recognition Patterns on a Nucleobase Level // IV. simpozij supramolekulske kemije (SupramolChem2021) | Zagreb, Hrvatska, 10.12.2021-10.12.2021

Rukopis

• Stephens, Amberley D. ; Qaisrani, Muhammad Nawaz ; Ruggiero, Michael T. ; Jones, Saul T.E. ; Poli, Emiliano ; Bond, Andrew D. ; Woodhams, Philippa J. ; Kleist, Elyse M. ; Grisanti, Luca ; Gebauer, Ralph et al. | Intrinsic fluorescence in non-aromatic peptide structures is induced by collective vibrations, charge reorganisation and short hydrogen bonds, as shown in a new glutamine-related structure // BiorXiv, 2020

  www.biorxiv.org