Browse by Author RBI

Article

Cvjetinović, Robert; Odavić, Jovan; Ćosić, Rajko; Sapunar, Marin; Došlić, Nađa (2026) Initial conditions for surface hopping trajectories from the VSCF-Wigner distribution. The Journal of Chemical Physics, 164 (11). ISSN 0021-9606

Cigrang, Léon L. E.; Curchod, Basile F. E.; Ingle, Rebecca A.; Kelly, Aaron; Mannouch, Jonathan R.; Accomasso, Davide; Alijah, Alexander; Barbatti, Mario; Chebbi, Wiem; Došlić, Nađa; Eklund, Elliot C.; Fernandez-Alberti, Sebastian; Freibert, Antonia; González, Leticia; Granucci, Giovanni; Hernández, Federico J.; Hernández-Rodríguez, Javier; Jain, Amber; Janoš, Jiří; Kassal, Ivan; Kirrander, Adam; Lan, Zhenggang; Larsson, Henrik R.; Lauvergnat, David; Le Dé, Brieuc; Lee, Yeha; Maitra, Neepa T.; Min, Seung Kyu; Peláez, Daniel; Picconi, David; Qiu, Zixing; Raucci, Umberto; Robertson, Patrick; Sangiogo Gil, Eduarda; Sapunar, Marin; Schuerger, Peter; Sinnott, Patrick; Tretiak, Sergei; Tikku, Arkin; Vindel-Zandbergen, Patricia; Worth, Graham A.; Agostini, Federica; Gomez, Sandra; Ibele, Lea M.; Prlj, Antonio (2025) Roadmap for molecular benchmarks in nonadiabatic dynamics. The Journal of Physical Chemistry A, 129 (31). pp. 7023-7050. ISSN 1089-5639

Chang, Yi-Ping; Balciunas, Tadas; Yin, Zhong; Sapunar, Marin; Tenorio, Bruno N. C.; Paul, Alexander C.; Tsuru, Shota; Koch, Henrik; Wolf, Jean-Pierre; Coriani, Sonia; Wörner, Hans Jakob (2025) Electronic dynamics created at conical intersections and its dephasing in aqueous solution. Nature Physics, 21 (1). pp. 137-145. ISSN 1745-2473

Faccialà, Davide; Bonanomi, Matteo; Tenorio, Bruno Nunes Cabral; Avaldi, Lorenzo; Bolognesi, Paola; Callegari, Carlo; Coreno, Marcello; Coriani, Sonia; Decleva, Piero; Devetta, Michele; Došlić, Nađa; De Fanis, Alberto; Di Fraia, Michele; Lever, Fabiano; Mazza, Tommaso; Meyer, Michael; Mullins, Terry; Ovcharenko, Yevheniy; Pal, Nitish; Piancastelli, Maria Novella; Richter, Robert; Rivas, Daniel E.; Sapunar, Marin; Senfftleben, Björn; Usenko, Sergey; Vozzi, Caterina; Gühr, Markus; Prince, Kevin C.; Plekan, Oksana (2025) Unraveling the Relaxation Dynamics of Uracil: Insights from Time-Resolved X-ray Photoelectron Spectroscopy. Journal of the American Chemical Society, 147 (34). pp. 30694-30707. ISSN 0002-7863

Tokić, Nina; Piteša, Tomislav; Prlj, Antonio; Sapunar, Marin; Došlić, Nađa (2024) Advantages and Limitations of Landau-Zener Surface Hopping Dynamics. Croatica Chemica Acta, 97 (4). ISSN 0011-1643

Sapunar, Marin; Meyer, Mackenzie; Ambalampitiya, Harindranath B.; Kushner, Mark J.; Mašín, Zdeněk (2024) Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances. Physical Chemistry Chemical Physics, 26 (40). pp. 26037-26050. ISSN 1463-9076

Coonjobeeharry, J.; Spinlove, K. E.; Sanz Sanz, Cristina; Sapunar, Marin; Došlić, Nađa; Worth, Graham A. (2022) Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 380 (2223). ISSN 1364-503X

Ponzi, Aurora; Sapunar, Marin; Došlić, Nađa; Decleva, Piero (2022) Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions. Molecules, 27 (6). ISSN 1420-3049

Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim F.; Došlić, Nađa; Domcke, Wolfgang; Decleva, Piero (2021) Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine. Journal of Chemical Theory and Computation, 17 (8). pp. 5098-5109. ISSN 1549-9618

Alonso-Jordá, Pedro; Davidović, Davor; Sapunar, Marin; Herrero, José R.; Quintana-Ortí, Enrique S. (2021) Efficient update of determinants for many-electron wave function overlaps. Computer physics communications, 258 . ISSN 0010-4655

Xie, Weiwei; Sapunar, Marin; Došlić, Nađa; Sala, Matthieu; Domcke, Wolfgang (2019) Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine. Journal of Chemical Physics, 150 (15). ISSN 0021-9606

Sapunar, Marin; Piteš, Tomislav; Davidović, Davor; Došlić, Nađa (2019) Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps. Journal of Chemical Theory and Computation, 15 (6). pp. 3461-3469. ISSN 1549-9618

Knežević, Anamarija; Dokli, Irena; Sapunar, Marin; Šegota, Suzana; Baumeister, Ute; Lesac, Andreja (2018) Induced smectic phase in binary mixture of twist-bend nematogens. Beilstein Journal of Nanotechnology, 9 . pp. 1297-1307. ISSN 2190-4286

Squibb, R. J.; Sapunar, Marin; Ponzi, A.; Richter, R.; Kivimäki, A.; Plekan, O.; Finetti, P.; Sisourat, N.; Zhaunerchyk, V.; Marchenko, T.; Journel, L.; Guillemin, R.; Cucini, R.; Coreno, M.; Grazioli, C.; Di Fraia, M.; Callegari, C.; Prince, K. C.; Decleva, P.; Simon, M.; Eland, J. H. D.; Došlić, Nađa; Feifel, R.; Piancastelli, M. N. (2018) Acetylacetone photodynamics at a seeded freeelectron laser. Nature Communications, 9 (1). ISSN 2041-1723

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero (2016) Photoionization of furan from the ground and excited electronic states. Journal of Chemical Physics, 144 (8). ISSN 0021-9606

Thisuwan, Jittima; Chaiwongwattana, Sermsiri; Sapunar, Marin; Sagarik, Kritsana; Došlić, Nađa (2016) Photochemical deactivation pathways of microsolvated hydroxylamine. Journal of Photochemistry and Photobiology A: Chemistry, 328 . pp. 10-15. ISSN 10106030

Chaiwongwattana, Sermsiri; Sapunar, Marin; Ponzi, Aurora; Decleva, Piero; Došlić, Nađa (2015) Exploration of Excited State Deactivation Pathways of Adenine Monohydrates. The Journal of Physical Chemistry A, 119 (43). pp. 10637-10644. ISSN 1089-5639

Sapunar, Marin; Ponzi, Aurora; Chaiwongwattana, Sermsiri; Mališ, Momir; Prlj, Antonio; Decleva, Piero; Došlić, Nađa (2015) Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study. Physical Chemistry Chemical Physics, 17 (29). pp. 19012-19020. ISSN 1463-9076

Thesis

Sapunar, Marin (2021) Toolkits for simulation and interpretation of photoinduced processes: a mixed classical-quantum approach. Doctoral thesis, Sveučilište u Zagrebu, Prirodoslovno-matematički fakultet.