• Dolazna mobilnost viših asistenata - Ivor Lončarić

  09.02.2024 - 08.01.2026 | 83,375.00 EUR

  CroRISIRB

• Hybrid modeling for excited states in novel molecular materials: from optical properties to exciton dynamics - DOK - HYMO4EXNOMOMA

  27.10.2021 - 26.10.2025 | 0.00 EUR

  CroRISIRB

• Multifunctional nanocarriers for nonlinear microscopy: new tools for biology and medicine - Micro4Nano

  01.10.2021 - 30.09.2026 | 795,800.00 EUR

  CroRISIRB

• Extending length and time scales of first principles material modelling via machine learning - ExtMatModelML

  15.01.2021 - 14.01.2026 | 243,413.63 EUR

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• Exploring halide 2D and quasi-2D perovskites: from rational structural design to enhanced efficiency and stability - 2DQ2DPEROEXPLORE

  01.10.2019 - 31.05.2023 | 281,899.26 EUR

  CroRISIRB

• Support for Center of Excellence for Advanced Materials and Sensing Devices cutting-edge research - CEMS

  01.11.2017 - 30.11.2023 | 37,990,359.00 HRK

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Original scientific paper

• Ren, Zhilin; Yuan, Zhengtian; Ovčar, Juraj; Leung, Tik Lun; He, Yanling; Ho-Baillie, Anita W.Y.; Lončarić, Ivor; Popović, Jasminka; Djurišić, Aleksandra B. | Elucidation of the suppression of photoinduced segregation in 2D mixed halide, A2PbI2Br2: Critical role of A2PbBr4 photostability // iScience (Cambridge), 28 (2025), 4; 112154, 15. doi: 10.1016/j.isci.2025.112154

  doiwww.cell.comfulir.irb.hr

• Mladineo, Bruno; Juaristi, J. Iñaki; Alducin, Maite; Saalfrank, Peter; Lončarić, Ivor | Photoinduced dynamics of CO on Ru(0001): Understanding experiments by simulations with all degrees of freedom // The Journal of chemical physics, 163 (2025), 4; 044103, 8. doi: 10.1063/5.0278850

  doipubs.aip.orgfulir.irb.hr

• Jakovac, Ivan; Cvitanić, Tonči; Arčon, Denis; Herak, Mirta; Cinčić, Dominik; Topić, Nea Baus; Hosokoshi, Yuko; Ono, Toshio; Iwashita, Ken; Hayashi, Nobuyuki et al. | Properties of an organic model S=1 Haldane chain system // Physical review. B, 111 (2025), 6; 064407, 13. doi: 10.1103/physrevb.111.064407

  doilink.aps.orglink.aps.orgharvest.aps.orgfulir.irb.hr

• Klaser, Teodoro; Popović, Jasminka; Lončarić, Ivor; Skoko, Željko | Structural Evolution Leading to the Thermosalient Phase Transition of Oxitropium Bromide // Molecules, 30 (2025), 5; 1107, 14. doi: 10.3390/molecules30051107

  doirepozitorij.pmf.unizg.hrwww.mdpi.comfulir.irb.hr

• Rehman, Atta Ur; Han, Kang Ding; Ali, Muhammad Umair; He, Yanling; Sergeev, Aleksandr A.; Yuan, Zhengtian; Dong, Chunyang; Gao, Xin; Not, Christelle A.; Ng, Alan Man Ching et al. | Niobium Oxide for Microplastics Degradation—the Effect of Crystal Structure and Morphology // Small structures, 6 (2025), 9; 2500124, 10. doi: 10.1002/sstr.202500124

  doionlinelibrary.wiley.comfulir.irb.hr

• Kretz, Bernhard; Lončarić, Ivor | Tuning Electronic Properties of Nanoporous Graphene // Inorganic chemistry, 64 (2025), 22; 11022-11031. doi: 10.1021/acs.inorgchem.5c01115

  doipubs.acs.org

• Benić, Luka; Grasselli, Federico; Ben Mahmoud, Chiheb; Novko, Dino; Lončarić, Ivor | Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe2 // Journal of chemical theory and computation, 21 (2025), 16; 8130-8141. doi: 10.1021/acs.jctc.5c00959

  doipubs.acs.orgarxiv.orgfulir.irb.hr

• Ren, Zhilin; Ovčar, Juraj; Leung, Tik Lun; He, Yanling; Li, Yin; Li, Dongyang; Qin, Xinshun; Mo, Hongbo; Yuan, Zhengtian; Bing, Jueming et al. | Increased resistance to photooxidation in Dion-Jacobson lead halide perovskites: Implication for perovskite device stability // Matter, 8 (2025), 3; 101937, 10. doi: 10.1016/j.matt.2024.11.031

  doiwww.sciencedirect.comwww.cell.com

• Kholtobina, Anastasiia; Lončarić, Ivor | Exploring elastic properties of molecular crystals with universal machine learning interatomic potentials // Materials and design, 254 (2025), 114047, 7. doi: 10.1016/j.matdes.2025.114047

  doiwww.sciencedirect.com

• Topić, Edi; Šenjug, Pavla; Barišić, Dario; Lončarić, Ivor; Rubčić, Mirta; Pajić, Damir | Modulating magnetism in layered hybrid Halocuprates(II): The role of constituting ions // Inorganic chemistry communications, 182 (2025), 2; 115520, 12. doi: 10.1016/j.inoche.2025.115520

  doiwww.sciencedirect.com

• Mladineo, Bruno; Klaser, Teodoro; Ende, Martin; Popović, Jasminka; Lončarić, Ivor; Skoko, Željko | Illustrating Extreme Negative Linear Compressibility in Thermosalient Molecular Crystals // Crystal growth & design, 25 (2025), 19; 8196-8202. doi: 10.1021/acs.cgd.5c01043

  doifulir.irb.hrpubs.acs.org

• Ren, Zhilin; Yuan, Zhengtian; Sergeev, Aleksandr A.; Lončarić, Ivor; Ali, Muhammad Umair; Rehman, Atta Ur; Wong, Kam Sing; He, Yanling; Ovčar, Juraj; Popović, Jasminka et al. | Photoluminescence and Stability of 2D Ruddlesden–Popper Halide Perovskites // Molecules, 30 (2025), 13; 2716, 13. doi: 10.3390/molecules30132716

  doiwww.mdpi.comfulir.irb.hr

• Erhardt, Nina Girotto; Castellano, Aloïs; Batista, J. P. Alvarinhas; Bianco, Raffaello; Lončarić, Ivor; Verstraete, Matthieu J.; Novko, Dino | Electron-mediated anharmonicity and its role in the Raman spectrum of graphene // npj Computational Materials, 11 (2025), 1; 114, 12. doi: 10.1038/s41524-025-01610-9

  doifulir.irb.hrarxiv.orgwww.nature.com

• Wood, William P.; Arhangelskis, Mihails; Bartůňková, Erika; Bernardes, Carlos E. S.; Boese, A. Daniel; Braun, Doris E.; Bučar, Dejan-Krešimir; Butkiewicz, Helena; Červinka, Ctirad; Civalleri, Bartolomeo et al. | BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs // Crystal growth & design, 26 (2025), 1; 476-493. doi: 10.1021/acs.cgd.5c01406

  doipubs.acs.orgfulir.irb.hr

• Mladineo, Bruno; Lončarić, Ivor | Thermosalient Phase Transitions from Machine Learning Interatomic Potential // Crystal growth & design, 24 (2024), 20; 8167-8173. doi: 10.1021/acs.cgd.4c00905

  doipubs.acs.orgfulir.irb.hr

• Žugec, Ivan ; Geilhufe, Matthias, R.; Lončarić, Ivor | Global machine learning potentials for molecular crystals // The Journal of chemical physics, 160 (2024), 15410, 7. doi: 10.1063/5.0196232

  doipubs.aip.orgfulir.irb.hr

• (CCDC seventh blind test of crystal structure prediction) Hunnisett, Lily M.; Francia, Nicholas; Nyman, Jonas; Abraham, Nathan S.; Aitipamula, Srinivasulu; Alkhidir, Tamador; Almehairbi, Mubarak; Anelli, Andrea; Anstine, Dylan M.; Anthony, John E. et al. | The seventh blind test of crystal structure prediction: structure ranking methods // Acta crystallographica. Section B, Structural science, crystal engineering and materials, 80 (2024), 6; 548-574. doi: 10.1107/s2052520624008679

  doifulir.irb.hrjournals.iucr.org

• Alić Stolar, Jasna; Lončarić, Ivor; Ettel, Martin; Rubčić, Mirta; Štefanić, Zoran; Šekutor, Marina; Užarević, Krunoslav; Stolar, Tomislav | Direct in situ measurement of polymorphic transition temperatures under thermo-mechanochemical conditions // PCCP. Physical chemistry chemical physics, 26 (2024), 6; 4840-4844. doi: 10.1039/D3CP04364A

  doipubs.rsc.orgfulir.irb.hr

• 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.orgfulir.irb.hrwww.sciencedirect.comdx.doi.org

• Foretić, Blaženka; Klaser, Teodoro; Ovčar, Juraj; Lončarić, Ivor; Žilić, Dijana; Šantić, Ana; Štefanić, Zoran; Bjelopetrović, Alen; Popović, Jasminka; Picek, Igor | The reversible electron transfer within stimuli-responsive hydrochromic supramolecular material containing pyridinium oxime and hexacyanoferrate (II) ions // Molecules, 29 (2024), 23; 5611, 15. doi: 10.3390/molecules29235611

  doiwww.mdpi.comfulir.irb.hr

• Sinha, Shreya; Mladineo, Bruno; Lončarić, Ivor; Saalfrank, Peter | Multidimensional Neural Network Interatomic Potentials for CO on NaCl(100) // Journal of physical chemistry. C, 128 (2024), 49; 21117-21131. doi: 10.1021/acs.jpcc.4c05765

  doipubs.acs.orgfulir.irb.hr

• Molčanov, Lidija; Androš Dubraja, Lidija; Žilić, Dijana; Molčanov, Krešimir; Barišić, Dario; Pajić, Damir; Lončarić, Ivor; Šantić, Ana; Jurić, Marijana | Light-Induced Intramolecular Electron Transfer in a 1D [CuFe] Coordination Polymer Containing the [Fe(C2O4)3]3– Core // Inorganic chemistry, 62 (2023), 42; 17219-17227. doi: 10.1021/acs.inorgchem.3c02351

  doifulir.irb.hrpubs.acs.org

• Lindner, Steven; Lončarić, Ivor; Vrček, Lovro; Alducin, Maite; Juaristi, J Iñaki; Saalfrank, Peter | Femtosecond laser-induced desorption of hydrogen molecules from Ru (0001): A systematic study based on machine-learned potentials // Journal of physical chemistry. C, 127 (2023), 30; 14756-14764. doi: 10.1021/acs.jpcc.3c02941

  doipubs.acs.orgfulir.irb.hr

• Topić, Edi ; Šenjug, Pavla ; Barišić, Dario ; Lončarić, Ivor ; Pajić, Damir ; Rubčić, Mirta | Structure-Related Evolution of Magnetic Order in Anisidinium Tetrachlorocuprates(II) // Crystal growth & design, 23 (2023), 6; 4262-4272. doi: 10.1021/acs.cgd.3c00066

  doipubs.acs.orgurn.nsk.hrfulir.irb.hr

• 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.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.orgfulir.irb.hr

• Stolar, Tomislav ; Alić, Jasna ; Lončarić, Ivor ; Etter, Martin ; Jung, Dahee ; Farha, K. Omar ; Đilović, Ivica ; Meštrović, Ernest ; Užarević, Krunoslav | Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism // Crystengcomm, 24 (2022), 6505-6511. doi: 10.1039/D2CE00668E

  doipubs.rsc.orgdoi.org

• Novko, Dino; Torbatian, Zahra; Lončarić, Ivor | Electron correlations rule the phonon-driven instability in single-layer TiSe2 // Physical review. B, 106 (2022), 24; 245108, 10. doi: 10.1103/physrevb.106.245108

  doiarxiv.orgjournals.aps.orgfulir.irb.hr

• Muzas, A.S. ; Serrano Jiménez, Alfredo ; Ovčar, Juraj ; Lončarić, Ivor ; Alducin, Maite ; Juaristi, J. Iñaki | Absence of isotope effects in the photo-induced desorption of CO from saturated Pd(111) at high laser fluence // Chemical Physics, 558 (2022), 111518, 8. doi: 10.1016/j.chemphys.2022.111518

  doiwww.sciencedirect.comfulir.irb.hr

• Lončarić, Ivor ; Alducin, Maite ; Juaristi, J. Iñaki | O2 on Ag(110): A puzzle for exchange-correlation functionals // Chemical Physics, 554 (2022), 111424, 25. doi: 10.1016/j.chemphys.2021.111424

  doiwww.sciencedirect.comfulir.irb.hrfulir.irb.hr

• 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

  doiurn.nsk.hronlinelibrary.wiley.comdoi.org

• Serrano Jiménez, Alfredo; Sánchez Muzas, Alberto P.; Zhang, Yaolong; Ovčar, Juraj; Jiang, Bin; Lončarić, Ivor; Juaristi, J. Iñaki; Alducin, Maite | Photoinduced Desorption Dynamics of CO from Pd(111): A Neural Network Approach // Journal of chemical theory and computation, 17 (2021), 8; 4648-4659. doi: 10.1021/acs.jctc.1c00347

  doipubs.acs.orgfulir.irb.hr

• Tolj, Davor ; Ivšić, Trpimir ; Živković, Ivica ; Semeniuk, Konstantin ; Martino, Edoardo ; Akrap, Ana ; Reddy, Priyanka ; Klebel-Knobloch, Benjamin ; Lončarić, Ivor ; Forró, László et al. | Synthesis of murunskite single crystals: A bridge between cuprates and pnictides // Applied materials today, 24 (2021), 101096, 9. doi: 10.1016/j.apmt.2021.101096

  doiwww.sciencedirect.comarxiv.orgfulir.irb.hrfulir.irb.hr

• Chan, Christopher C. S. ; Fan, Kezhou ; Wang, Han ; Huang, Zhanfeng ; Novko, Dino ; Yan, Keyou ; Xu, Jianbin ; Choy, Wallace C. H. ; Lončarić, Ivor ; Wong, Kam Sing | Uncovering the Electron‐Phonon Interplay and Dynamical Energy‐Dissipation Mechanisms of Hot Carriers in Hybrid Lead Halide Perovskites // Advanced Energy Materials, 11 (2021), 9; 202003071, 10. doi: 10.1002/aenm.202003071

  doidoi.orgonlinelibrary.wiley.comfulir.irb.hr

• Šenjug, Pavla ; Dragović, Jure ; Torić, Filip ; Lončarić, Ivor ; Despoja, Vito ; Smokrović, Kristina ; Topić, Edi ; Đilović, Ivica ; Rubčić, Mirta ; Pajić, Damir | Magnetoelectric Multiferroicity and Magnetic Anisotropy in Guanidinium Copper(II) Formate Crystal // Materials, 14 (2021), 7; 1730, 19. doi: 10.3390/ma14071730

  doiwww.mdpi.comdoi.orgurn.nsk.hr

• Martinez, Valentina ; Karadeniz, Bahar ; Biliškov, Nikola ; Lončarić, Ivor ; Muratović, Senada ; Žilić, Dijana ; Avdoshenko, Stanislav M. ; Roslova, Maria ; Popov, Alexey A. ; Užarević, Krunoslav | Tunable Fulleretic Sodalite MOFs: Highly Efficient and Controllable Entrapment of C60 Fullerene via Mechanochemistry // Chemistry of materials, 32 (2020), 24; 10628-10640. doi: 10.1021/acs.chemmater.0c03796

  doipubs.acs.orgdoi.org

• Lukin, Stipe ; Stolar, Tomislav ; Lončarić, Ivor ; Milanović, Igor ; Biliškov, Nikola ; di Michiel, Marco ; Friščić, Tomislav ; Halasz, Ivan | Mechanochemical Metathesis between AgNO3 and NaX (X = Cl, Br, I) and Ag2XNO3 Double-Salt Formation // Inorganic chemistry, 59 (2020), 17; 12200-12208. doi: 10.1021/acs.inorgchem.0c01196

  doipubs.acs.org

• Kanižaj, Lidija ; Barišić, Dario ; Torić, Filip ; Pajić, Damir ; Molčanov, Krešimir ; Šantić, Ana ; Lončarić, Ivor ; Jurić, Marijana | Structural, Electrical, and Magnetic Versatility of the Oxalate-Based [CuFe] Compounds Containing 2,2′:6′,2″-Terpyridine: Anion-Directed Synthesis // Inorganic chemistry, 59 (2020), 24; 18078-18089. doi: 10.1021/acs.inorgchem.0c02548

  doipubs.acs.orgdoi.org

• Bosnar, Mihovil ; Caciuc, Vasile ; Atodiresei, Nicolae ; Lončarić, Ivor ; Blügel, Stefan | Se intercalation between PtSe2 and the Pt surface during synthesis of PtSe2 by direct selenization of Pt(111) // Physical review. B, 102 (2020), 11; 115427, 7. doi: 10.1103/physrevb.102.115427

  doijournals.aps.orgfulir.irb.hr

• Bosnar, Mihovil ; Lončarić, Ivor ; Lazić, Predrag ; Belashchenko, Kiril D. ; Žutić, Igor | Proximity-induced magnetization in graphene: Towards efficient spin gating // Physical review materials, 4 (2020), 11; 114006, 9. doi: 10.1103/physrevmaterials.4.114006

  doijournals.aps.orgarxiv.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

• Yuan, Yusheng ; Sheng, Kai ; Zeng, Suyuan ; Han, Xiguang ; Sun, Liming ; Lončarić, Ivor ; Zhan, Wenwen ; Sun, Di | Engineering Cu/TiO2@N-Doped C Interfaces Derived from an Atom-Precise Heterometallic CuII4TiIV5 Cluster for Efficient Photocatalytic Hydrogen Evolution // Inorganic chemistry, 59 (2020), 8; 5456-5462. doi: 10.1021/acs.inorgchem.0c00084

  doipubs.acs.orgdoi.orgfulir.irb.hr

• Pecqueur, Sébastien ; Lončarić, Ivor ; Zlatić, Vinko ; Vuillaume, Dominique ; Crljen, Željko | The non-ideal organic electrochemical transistors impedance // Organic electronics, 71 (2019), 14-23. doi: 10.1016/j.orgel.2019.05.001

  doiwww.sciencedirect.comdoi.org

• Despoja, Vito ; Novko, Dino ; Lončarić, Ivor ; Golenić, Neven ; Marušić, Leonardo ; Silkin, Vyacheslav M. | Strong acoustic plasmons in chemically doped graphene induced by a nearby metal surface // Physical review. B, 100 (2019), 19; 195401, 8. doi: 10.1103/physrevb.100.195401

  doijournals.aps.orgdoi.orgfulir.irb.hr

• Lončarić, Ivor ; Alducin, M. ; Juaristi, J. I. ; Novko, Dino | CO Stretch Vibration Lives Long on Au(111) // Journal of physical chemistry letters, 10 (2019), 5; 1043-1047. doi: 10.1021/acs.jpclett.9b00069

  doipubs.acs.orgfulir.irb.hr

• Kanižaj, Lidija ; Molčanov, Krešimir ; Torić, Filip ; Pajić, Damir ; Lončarić, Ivor ; Šantić, Ana ; Jurić, Marijana | Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr(C2O4)3]3− and Cr2O72− // Dalton transactions, 48 (2019), 7891-7898. doi: 10.1039/C9DT01195A

  doipubs.rsc.org

• Mervinetsky, Evgeniy ; Alshanski, Israel ; Buchwald, Jörg ; Dianat, Arezoo ; Lončarić, Ivor ; Lazić, Predrag ; Crljen, Željko ; Gutierrez, Rafael ; Cuniberti, Gianaurelio ; Hurevich, Mattan et al. | Direct Assembly and Metal-Ion Binding Properties of Oxytocin Monolayer on Gold Surfaces // Langmuir, 35 (2019), 34; 11114-11122. doi: 10.1021/acs.langmuir.9b01830

  doipubs.acs.orgdoi.org

• Karadeniz, Bahar ; Žilić, Dijana ; Huskić, Igor ; Germann, Luzia S. ; Fidelli, Athena M. ; Muratović, Senada ; Lončarić, Ivor ; Etter, Martin ; Dinnebier, Robert E. ; Barišić, Dajana et al. | Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal– Organic Frameworks via Mechanochemistry // Journal of the American Chemical Society, 141 (2019), 49; 19214-19220. doi: 10.1021/jacs.9b10251

  doipubs.acs.orgdoi.org

• Scholz, Robert ; Lindner, Steven ; Lončarić, Ivor ; Tremblay, Jean Christophe ; Juaristi, J. I. ; Alducin, M. ; Saalfrank, Peter | Vibrational response and motion of carbon monoxide on Cu(100) driven by femtosecond laser pulses: Molecular dynamics with electronic friction // Physical review. B, 100 (2019), 24; 245431, 20. doi: 10.1103/physrevb.100.245431

  doijournals.aps.orgdoi.org

• 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

• Jurić, Marijana ; Androš Dubraja, Lidija ; Popović, Jasminka ; Molčanov, Krešimir ; Torić, Filip ; Pajić, Damir ; Lončarić, Ivor | From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [CrIIINbV] complexes // Dalton transactions, 47 (2018), 12; 4183-4190. doi: 10.1039/C7DT04724J

  doipubs.rsc.org

• Feng, Jiandong ; Deschout, Hendrik ; Caneva, Sabina ; Hofmann, Stephan ; Lončarić, Ivor ; Lazić, Predrag ; Radenovic, Aleksandra | Imaging of Optically Active Defects with Nanometer Resolution // Nano letters, 18 (2018), 3; 1739-1744. doi: 10.1021/acs.nanolett.7b04819

  doipubs.acs.org

• Lukin, Stipe ; Lončarić, Ivor ; Tireli, Martina ; Stolar, Tomislav ; Blanco, Maria V. ; Lazić, Predrag ; Užarević, Krunoslav ; Halasz, Ivan. | Experimental and Theoretical Study of Selectivity in Mechanochemical Cocrystallization of Nicotinamide with Anthranilic and Salicylic Acid // Crystal growth & design, 18 (2018), 3; 1539-1547. doi: 10.1021/acs.cgd.7b01512

  doipubs.acs.org

• Lončarić, Ivor ; Rukelj, Zoran ; Silkin, Vyacheslav M. ; Despoja, Vito | Strong two-dimensional plasmon in Li-intercalated hexagonal boron-nitride film with low damping // npj 2D materials and applications, 2 (2018), 1; 33, 7. doi: 10.1038/s41699-018-0078-y

  doiwww.nature.com

• Lukin, Stipe ; Tireli, Martina ; Lončarić, Ivor ; Barišić, Dajana ; Šket, Primož ; Vrsaljko, Domagoj ; di Michiel, Marco ; Plavec, Janez ; Užarević, Krunoslav ; Halasz, Ivan | Mechanochemical carbon-carbon bond formation that proceeds via a cocrystal intermediate // Chemical communications, 54 (2018), 13216-13219. doi: 10.1039/C8CC07853J

  doipubs.rsc.org

• Novko, Dino ; Lončarić, Ivor ; Blanco-Rey, María ; Juaristi, J. Iñaki ; Alducin, Maite | Energy loss and surface temperature effects in ab initio molecular dynamics simulations: N adsorption on Ag(111) as a case study // Physical review. B, 96 (2017), 8; 085437, 8. doi: 10.1103/physrevb.96.085437

  doijournals.aps.org

• Lončarić, Ivor ; Füchsel, Gernot ; Juaristi, J. I. ; Saalfrank, Peter | Strong Anisotropic Interaction Controls Unusual Sticking and Scattering of CO at Ru(0001) // Physical review letters, 119 (2017), 14; 146101, 5. doi: 10.1103/physrevlett.119.146101

  doijournals.aps.org

• Lončarić, Ivor ; Popović, Jasminka ; Despoja, Vito ; Burazer, Sanja ; Grgičević, Ivan ; Popović, Dean ; Skoko, Željko | Reversible Thermosalient Effect of N′-2- Propylidene-4-hydroxybenzohydrazide Accompanied by an Immense Negative Compressibility: Structural and Theoretical Arguments Aiming toward the Elucidation of Jumping Phenomenon // Crystal growth & design, 17 (2017), 8; 4445-4453. doi: 10.1021/acs.cgd.7b00785

  doipubs.acs.org

• Scholz, Robert ; Floß, Gereon ; Saalfrank, Peter ; Füchsel, Gernot ; Lončarić, Ivor ; Juaristi, J. I. | Femtosecond-laser induced dynamics of CO on Ru(0001): Deep insights from a hot-electron friction model including surface motion // Physical review. B, 94 (2016), 16; 165447, 17. doi: 10.1103/physrevb.94.165447

  doijournals.aps.org

• Lončarić, Ivor ; Alducin, M. ; Juaristi, J. I. | Molecular dynamics simulation of O2 adsorption on Ag(110) from first principles electronic structure calculations // PCCP. Physical chemistry chemical physics, 18 (2016), 39; 27366-27376. doi: 10.1039/c6cp05199e

  doipubs.rsc.org

• Lončarić, Ivor ; Alducin, M. ; Saalfrank, P. ; Juaristi, J. I. | Femtosecond-laser-driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110) // Physical review. B, 93 (2016), 1; 014301, 9. doi: 10.1103/physrevb.93.014301

  doijournals.aps.org

• Lončarić, Ivor ; Alducin, Maite ; Saalfrank, Peter ; Juaristi, J. Iñaki | Femtosecond laser pulse induced desorption: A molecular dynamics simulation // Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 382 (2016), 114-118. doi: 10.1016/j.nimb.2016.02.051

  doiwww.sciencedirect.com

• Lončarić, Ivor ; Alducin, M. ; Juaristi, J. I. | Dissociative dynamics of O2 on Ag(110) // PCCP. Physical chemistry chemical physics, 17 (2015), 14; 9436-9445. doi: 10.1039/c4cp05900j

  doipubs.rsc.org

• Lončarić, Ivor ; Despoja, Vito | Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111) // Physical review. B, Condensed matter and materials physics, 90 (2014), 075414, 7. doi: 10.1103/physrevb.90.075414

  doijournals.aps.orgdx.doi.org

• Despoja, Vito ; Lončarić, Ivor ; Mowbray, Duncan ; Marušić, Leonardo | Quasiparticle spectra and excitons of organic molecules deposited on substrates: G 0 W0 -BSE approach applied to benzene on graphene and metallic substrates // Physical review. B, Condensed matter and materials physics, 88 (2013), 235437, 9. doi: 10.1103/physrevb.88.235437

  doijournals.aps.orgdx.doi.org

Letter (scientific)

• Tepie, M.; Glerean, F.; Ovčar, Juraj; Priya, S.; Miyagawa, K.; Taniguchi, H.; Kanoda, K.; Lončarić, Ivor; Dressel, M.; Mitrano, M. | Photoinduced frustration modulation in is k-type quantum spin liquid candidates // Physical review. B, 112 (2025), 14; L140401, 5. doi: 10.1103/clxp-z2g5

  doijournals.aps.orgarxiv.orgfulir.irb.hr

Conference abstract

• Serrano-Jiménez, Alfredo ; Muzas, Alberto Sánchez ; Zhang, Yaolong ; Jiang, Bin ; Lončarić, Ivor ; Juaristi, Iñaki ; Alducin, Maite | Photoinduced desorption dynamics of CO from Pd(111): a neural network approach // Bulletin of the American Physical Society, 2021, C25.00004, 1

  meetings.aps.org

• Skoko, Željko ; Popović, Jasminka ; Lončarić, Ivor | Mystique world of acrobatic molecular crystals // Acta crystallographica. Section A, Foundations and advances, 2017. str. C1376-C1376. doi: 10.1107/S2053273317082006

  doiscripts.iucr.org

Unpublished conference paper

• Benić, Luka; Grasselli, Federico; Ben Mahmoud, Chiheb; Novko, Dino; Lončarić, Ivor | Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe2 // School on Machine Learning for Molecules and Materials Research | Zadar, Hrvatska, 09.06.2025-13.06.2025

• Benić, Luka; Grasselli, Federico; Ben Mahmoud, Chiheb; Novko, Dino; Lončarić, Ivor | Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe2 // Solid State Science and Research | Zagreb, Hrvatska, 02.07.2025-04.07.2025

• Benić, Luka; Lončarić, Ivor | CDW transitions in 1H-NbSe2 from ML interatomic potentials // ultrafast phenomena and light-matter interaction in quantum materials | , 02.09.2024-06.09.2024

• Lončarić, Ivor | Modelling dynamics of CO on metal surfaces // Energy Dissipation at Interfaces: From Catalysis to Astrochemistry | Leiden. Nizozemska, 01.01.2022-01.01.2022

• 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 // 4. Simpozij supramolekulske kemije | Zagreb, Hrvatska, 10.12.2021-10.12.2021

• Lončarić, Ivor | Modelling dynamics of molecules on surfaces // EUROMAT 2021, European congress and exhibition on advanced materials and processes | online;, 13.09.2021-17.09.2021

  submit.asmet.org

• Lončarić, Ivor | Modelling dynamics of CO at Metal Surfaces // Mini-symposium on Surface Science and Dynamics | Potsdam, Njemačka, 17.09.2021-17.09.2021

• Lončarić, Ivor | Modelling dynamics of molecules on surfaces: CO on metals // Solid State Science and Research Meeting | Zagreb, Hrvatska, 27.06.2019-29.06.2019

• Lončarić, Ivor | Density functional theory and beyond for solar energy conversion // Workshop on Solar Energy Materials | Zagreb, Hrvatska, 09.05.2019-10.05.2019

• Klaser, Teodor ; Skoko, Željko ; Lončarić, Ivor ; Naumov, Panče ; Zema, Michele | Thermosalient mystery // 25th International Scientific Meeting on Vacuum Science and Technique | Gozd Martuljek, Slovenija, 17.05.2018-18.05.2018

• Lončarić, Ivor ; Popović, Jasminka ; Skoko, Željko ; Despoja, Vito | Thermosalient ("jumping") crystals // 2018 Joint meeting of the DPG and EPS Condensed Matter Divisions | Berlin, Njemačka, 11.03.2018-16.03.2018

  www.dpg-verhandlungen.de

• Bosnar, Mihovil ; Lončarić, Ivor ; Lazić, Predrag | Efficient spin gating with van der Waals heterostructures // The 2018 CAMD Summer School on Electron Structure Theory and Materials Design | Helsingør, Danska, 12.08.2018-17.08.2018

• Klaser, Teodoro ; Skoko, Željko ; Lončarić, Ivor ; Naumov, Panče ; Zema, Michele | Thermosalient mystery // 25th International Scientific Meeting on Vacuum Science and Technique | Gozd Martuljek, Slovenija, 17.05.2018-18.05.2018

• Lončarić, Ivor | Dynamics of CO scattering and adsorption on Ru(0001): microscopical elucidation of the results of molecular beam experiments // Third International Conference on Scattering of Atoms and Molecules from Surfaces | Bergen, Norveška, 23.08.2016-26.08.2016

• Lončarić, Ivor ; Alducin, Maite ; Juaristi, Inaki | Dynamics of oxygen molecule on Ag(110) // Gordon Research Conference and Gordon Research Seminar: Dynamics at Surfaces | Newport (RI), Sjedinjene Američke Države, 08.08.2015-14.08.2015

• Despoja, Vito ; Mowbray, Duncan ; Lončarić, Ivor | Quasiparticle spectra and excitons in organic molecules deposited on graphene or metal surface: G0 W0 -BSE approach // DIPC seminar (2013) | Donostia-San Sebastián, Španjolska, 06.09.2013-06.09.2013

Bachelor's thesis (university)

• Lončarić, Ivo | Tribologija u obradi metala trenje, trošenje i podmazivanje / Tomac, Nikola (mentor). | Rijeka, Pomorski fakultet u Rijeci, 2021

  repository.pfri.uniri.hr

Master's thesis (university)

• Šopar, Šimun | Strojno učenje potencijala za CsPbBr_xI_(3-x) / Lončarić, Ivor ; Poljak, Nikola (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2023

  urn.nsk.hr

• Jurdana, Janko | Aktivno učenje interatomskih potencijala za predikciju kristalne strukture / Lončarić, Ivor ; Radić, Danko (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2023

  urn.nsk.hr

• Parunov, Antonio | Prijenosno učenje interatomskih potencijala: od molekula do kristala / Lončarić, Ivor; Radić, Danko (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2022

  urn.nsk.hr

• Žugec, Ivan | Modeliranje dinamičkih svojstava molekularnih kristala pomoću strojno naučenih potencijala / Lončarić, Ivor ; Radić, Danko (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2021

  urn.nsk.hr

• Mladineo, Bruno | Struktura i svojstva dvodimenzionalnih Dion-Jacobson perovskita / Lončarić, Ivor ; Kupčić, Ivan (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2021

  urn.nsk.hr

Doctoral thesis

• Ovčar, Juraj | Modeliranje kristalnih struktura i svojstava dvodimenzionalnih hibridnih halogenidnih perovskita / Lončarić, Ivor (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2023

  urn.nsk.hr

• Bosnar, Mihovil | Elektronska svojstva Van der Waalsovih heterostruktura iz prvih principa / Lončarić, Ivor (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2021

  urn.nsk.hr

Manuscript

• Benić, Luka; Grasselli, Federico; Ben Mahmoud, Chiheb; Novko, Dino; Lončarić, Ivor | Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe2, 2025. doi: 10.48550/ARXIV.2505.05384

  doidoi.org