About
Ivor Lončarić is a theoretical condensed matter physicist.
His main scientific interest is the modelling of materials from first principles. He mainly relies on density functional theory and often combines it with machine learning. He worked on various classes of materials, including molecular crystals, catalytic processes on metal surfaces, properties and stability of hybrid halide perovskites, and others. To date, he has published over 60 scientific papers. He has led and participated in several scientific projects of the Croatian Science Foundation as well as projects funded by the European Union. So far, he has supervised three defended doctoral theses and seven master’s theses. He is the recipient of the State Award for Science (2020) and the Outstanding Award for the Best Doctoral Thesis in 2016/2017 of the University of the Basque Country.
Interests
- Condensed Matter Physics
- Machine Learning
Education
PhD in Physics, 2017
University of the Basque Country
MSc in Physics, 2013
Faculty of Science | University of Zagreb
2025
1
Edi Topić, Pavla Šenjug, Dario Barišić, Ivor Lončarić, Mirta Rubčić, Damir Pajić
(2025).
Modulating magnetism in layered hybrid Halocuprates (II): The role of constituting ions.
Inorganic Chemistry Communications.
2
M Tepie, F Glerean, Juraj Ovčar, S Priya, K Miyagawa, H Taniguchi, K Kanoda, Ivor Lončarić, M Dressel, M Mitrano
(2025).
Photoinduced frustration modulation in $kappa$-type quantum spin liquid candidates.
Physical Review B.
3
Bruno Mladineo, Teodoro Klaser, Martin Ende, Jasminka Popović, Ivor Lončarić, Željko Skoko
(2025).
Illustrating Extreme Negative Linear Compressibility in Thermosalient Molecular Crystals.
Crystal Growth & Design.
4
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud, Dino Novko, Ivor Lončarić
(2025).
Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe2.
Journal of Chemical Theory and Computation.
5
Bruno Mladineo, J Iñaki Juaristi, Maite Alducin, Peter Saalfrank, Ivor Lončarić
(2025).
Photoinduced dynamics of CO on Ru (0001): Understanding experiments by simulations with all degrees of freedom.
The Journal of Chemical Physics.
6
Anastasiia Kholtobina, Ivor Lončarić
(2025).
Exploring elastic properties of molecular crystals with universal machine learning interatomic potentials.
Materials & Design.
7
Bernhard Kretz, Ivor Lončarić
(2025).
Tuning Electronic Properties of Nanoporous Graphene.
Inorganic Chemistry.
8
Zhilin Ren, Zhengtian Yuan, Aleksandr A. Sergeev, Ivor Lončarić, Muhammad Umair Ali, Atta Ur Rehman, Kam Sing Wong, Yanling He, Juraj Ovčar, Jasminka Popović, Others
(2025).
Photoluminescence and Stability of 2D Ruddlesden--Popper Halide Perovskites.
Molecules.
9
Nina Girotto Erhardt, Aloı̈s Castellano, JP Alvarinhas Batista, Raffaello Bianco, Ivor Lončarić, Matthieu J Verstraete, Dino Novko
(2025).
Electron-mediated anharmonicity and its role in the Raman spectrum of graphene.
npj Computational Materials.
10
Zhilin Ren, Zhengtian Yuan, Juraj Ovčar, Tik Lun Leung, Yanling He, Anita WY Ho-Baillie, Ivor Lončarić, Jasminka Popović, Djurišić Aleksandra B.
(2025).
Elucidation of the suppression of photoinduced segregation in 2D mixed halide, A2PbI2Br2: Critical role of A2PbBr4 photostability.
iScience.
11
Zhilin Ren, Juraj Ovčar, Tik Lun Leung, Yanling He, Yin Li, Dongyang Li, Xinshun Qin, Hongbo Mo, Zhengtian Yuan, Jueming Bing, ..., Ivor Lončarić, Others
(2025).
Increased resistance to photooxidation in Dion-Jacobson lead halide perovskites: Implication for perovskite device stability.
Matter.
12
Teodoro Klaser, Jasminka Popović, Ivor Lončarić, Željko Skoko
(2025).
Structural Evolution Leading to the Thermosalient Phase Transition of Oxitropium Bromide.
Molecules.
2024
1
Blaženka Foretić, Teodoro Klaser, Juraj Ovčar, Ivor Lončarić, Dijana Žilić, Ana Šantić, Zoran Štefančić, Alen Bjelopetrović, Jasminka Popović, Igor Picek
(2024).
The reversible electron transfer within stimuli-responsive hydrochromic supramolecular material containing pyridinium oxime and hexacyanoferrate (II) ions.
Molecules.
2
Shreya Sinha, Bruno Mladineo, Ivor Lončarić, Peter Saalfrank
(2024).
Multidimensional Neural Network Interatomic Potentials for CO on NaCl (100).
The Journal of Physical Chemistry C.
3
Bruno Mladineo, Ivor Lončarić
(2024).
Thermosalient phase transitions from machine learning interatomic potential.
Crystal Growth & Design.
4
Tomislav Stolar, Ben KD Pearce, Martin Etter, Khai-Nghi Truong, Tea Ostojić, Andraž Krajnc, Gregor Mali, Barbara Rossi, Krešimir Molčanov, Ivor Lončarić, Others
(2024).
Base-pairing of uracil and 2, 6-diaminopurine: from cocrystals to photoreactivity.
iScience.
5
Ivan Žugec, R Matthias Geilhufe, Ivor Lončarić
(2024).
Global machine learning potentials for molecular crystals.
The Journal of Chemical Physics.
6
Jasna Alić, Ivor Lončarić, Martin Etter, Mirta Rubčić, Zoran Štefanić, Marina Šekutor, Krunoslav Užarević, Tomislav Stolar
(2024).
Direct in situ measurement of polymorphic transition temperatures under thermo-mechanochemical conditions.
Physical Chemistry Chemical Physics.
2023
1
Lidija Molčanov, Lidija Androš Dubraja, Dijana Žilić, Krešimir Molčanov, Dario Barišić, Damir Pajić, Ivor Lončarić, Ana Šantić, Marijana Jurić
(2023).
Light-Induced Intramolecular Electron Transfer in a 1D [CuFe] Coordination Polymer Containing the [Fe (C2O4) 3] 3--Core.
Inorganic Chemistry.
2
Steven Lindner, Ivor Lončarić, Lovro Vrček, Maite Alducin, J Iñaki Juaristi, Peter Saalfrank
(2023).
Femtosecond laser-induced desorption of hydrogen molecules from Ru (0001): A systematic study based on machine-learned potentials.
The Journal of Physical Chemistry C.
3
Sébastien Pecqueur, Dominique Vuillaume, Željko Crljen, Ivor Lončarić, Vinko Zlatić
(2023).
A Neural Network to Decipher Organic Electrochemical Transistors’ Multivariate Responses for Cation Recognition.
Electronic Materials.
4
Juraj Ovčar, Luca Grisanti, Bruno Mladineo, Aleksandra B Djurišić, Jasminka Popović, Ivor Lončarić
(2023).
Crystal structure prediction of quasi-two-dimensional lead halide perovskites.
Physical Review B.
5
Edi Topić, Pavla Šenjug, Dario Barišić, Ivor Lončarić, Damir Pajić, Mirta Rubčić
(2023).
Structure-Related Evolution of Magnetic Order in Anisidinium Tetrachlorocuprates (II).
Crystal Growth & Design.
2022
1
Dino Novko, Zahra Torbatian, Ivor Lončarić
(2022).
Electron correlations rule the phonon-driven instability in single-layer TiSe 2.
Physical Review B.
2
Tomislav Stolar, Jasna Alić, Ivor Lončarić, Martin Etter, Dahee Jung, Omar K Farha, Ivica Đilović, Ernest Meštrović, Krunoslav Užarević
(2022).
Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism.
CrystEngComm.
3
Juraj Ovčar, Tik Lun Leung, Luca Grisanti, Željko Skoko, Martina Vrankic, Kam-Hung Low, Shixun Wang, Pei-Ying You, Hyeyoung Ahn, Ivor Lončarić, Others
(2022).
Mixed halide ordering as a tool for the stabilization of Ruddlesden--Popper Structures.
Chemistry of materials.
4
AS Muzas, Alfredo Serrano Jiménez, Juraj Ovčar, Ivor Lončarić, Maite Alducin, J Iñaki Juaristi
(2022).
Absence of isotope effects in the photo-induced desorption of CO from saturated Pd (111) at high laser fluence.
Chemical Physics.
5
Ivor Lončarić, Maite Alducin, J Iñaki Juaristi
(2022).
O2 on Ag (110): A puzzle for exchange-correlation functionals.
Chemical Physics.
2021
1
Davor Tolj, Trpimir Ivšić, Ivica Živković, Konstantin Semeniuk, Edoardo Martino, Ana Akrap, Priyanka Reddy, Benjamin Klebel-Knobloch, Ivor Lončarić, László Forró, Others
(2021).
Synthesis of murunskite single crystals: A bridge between cuprates and pnictides.
Applied Materials Today.
2
Fangzhou Liu, Xinshun Qin, Bing Han, Christopher CS Chan, Chao Ma, Tik Lun Leung, Wei Chen, Yanling He, Ivor Lončarić, Luca Grisanti, Juraj Ovčar, Others
(2021).
Enhanced light emission performance of mixed cation perovskite films—The effect of solution stoichiometry on crystallization.
Advanced optical materials.
3
Alfredo Serrano Jiménez, Alberto P Sanchez Muzas, Yaolong Zhang, Juraj Ovčar, Bin Jiang, Ivor Lončarić, J Iñaki Juaristi, Maite Alducin
(2021).
Photoinduced desorption dynamics of CO from Pd (111): a neural network approach.
Journal of chemical theory and computation.
4
Pavla Šenjug, Jure Dragović, Filip Torić, Ivor Lončarić, Vito Despoja, Kristina Smokrović, Edi Topić, Ivica Đilović, Mirta Rubčić, Damir Pajić
(2021).
Magnetoelectric Multiferroicity and Magnetic Anisotropy in Guanidinium Copper (II) Formate Crystal.
Materials.
5
Christopher CS Chan, Kezhou Fan, Han Wang, Zhanfeng Huang, Dino Novko, Keyou Yan, Jianbin Xu, Wallace CH Choy, Ivor Lončarić, Kam Sing Wong
(2021).
Uncovering the Electron-Phonon Interplay and Dynamical Energy-Dissipation Mechanisms of Hot Carriers in Hybrid Lead Halide Perovskites.
Advanced Energy Materials.
2020
1
Valentina Martinez, Bahar Karadeniz, Nikola Biliškov, Ivor Lončarić, Senada Muratović, Dijana Žilić, Stanislav M Avdoshenko, Maria Roslova, Alexey a Popov, Krunoslav Užarević
(2020).
Tunable Fulleretic Sodalite MOFs: Highly Efficient and Controllable Entrapment of C60 Fullerene via Mechanochemistry.
Chemistry of Materials.
2
Lidija Kanižaj, Dario Barišić, Filip Torić, Damir Pajić, Krešimir Molčanov, Ana Šantić, Ivor Lončarić, Marijana Jurić
(2020).
Structural, Electrical, and Magnetic Versatility of the Oxalate-Based [CuFe] Compounds Containing 2, 2′: 6′, 2 ″-Terpyridine: Anion-Directed Synthesis.
Inorganic Chemistry.
3
Mihovil Bosnar, Ivor Lončarić, Predrag Lazić, KD Belashchenko, Igor Žutić
(2020).
Proximity-induced magnetization in graphene: Towards efficient spin gating.
Physical Review Materials.
4
Stipe Lukin, Tomislav Stolar, Ivor Lončarić, Igor Milanović, Nikola Biliškov, Marco Di Michiel, Tomislav Friščić, Ivan Halasz
(2020).
Mechanochemical Metathesis between AgNO3 and NaX (X= Cl, Br, I) and Ag2XNO3 Double-Salt Formation.
Inorganic Chemistry.
5
Ho Won Tam, Tik Lun Leung, Wenting Sun, Fangzhou Liu, Chao Ma, Kam Sing Wong, Ivor Lončarić, Luca Grisanti, Juraj Ovčar, Željko Skoko, Others
(2020).
Phase control for quasi-2D blue emitters by spacer cation engineering.
Journal of Materials Chemistry C.
6
Yusheng Yuan, Kai Sheng, Suyuan Zeng, Xiguang Han, Liming Sun, Ivor Lončarić, Wenwen Zhan, Di Sun
(2020).
Engineering Cu/TiO2@ N-Doped C Interfaces Derived from an Atom-Precise Heterometallic CuII4TiIV5 Cluster for Efficient Photocatalytic Hydrogen Evolution.
Inorganic Chemistry.
7
Mihovil Bosnar, Vasile Caciuc, Nicolae Atodiresei, Ivor Lončarić, Stefan Blügel
(2020).
Se intercalation between PtSe 2 and Pt surface in synthesis of PtSe 2 by direct selenization of Pt surface.
Physical Review B.
2019
1
Robert Scholz, Steven Lindner, Ivor Lončarić, Jean Christophe Tremblay, JI Juaristi, M Alducin, Peter Saalfrank
(2019).
Vibrational response and motion of carbon monoxide on Cu (100) driven by femtosecond laser pulses: Molecular dynamics with electronic friction.
Physical Review B.
2
Tik Lun Leung, Ho Won Tam, Fangzhou Liu, Jingyang Lin, Alan Man Ching Ng, Wai Kin Chan, Wei Chen, Zhubing He, Ivor Lončarić, Luca Grisanti, Others
(2019).
Mixed Spacer Cation Stabilization of Blue-Emitting n= 2 Ruddlesden--Popper Organic--Inorganic Halide Perovskite Films.
Advanced Optical Materials.
3
Bahar Karadeniz, Dijana Žilić, Igor Huskić, Luzia S Germann, Athena M Fidelli, Senada Muratović, Ivor Lončarić, Martin Etter, Robert E Dinnebier, Dajana Barišić, Others
(2019).
Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal--Organic Frameworks via Mechanochemistry.
Journal of the American Chemical Society.
4
Vito Despoja, Dino Novko, Ivor Lončarić, Neven Golenić, Marušić Leonardo, Vyacheslav M Silkin
(2019).
Strong acoustic plasmons in chemically doped graphene induced by a nearby metal surface.
Physical Review B.
5
Sébastien Pecqueur, Ivor Lončarić, Vinko Zlatić, Dominique Vuillaume, Željko Crljen
(2019).
The non-ideal organic electrochemical transistors impedance.
Organic Electronics.
6
Evgeniy Mervinetsky, Israel Alshanski, Jörg Buchwald, Arezoo Dianat, Ivor Lončarić, Predrag Lazić, Željko Crljen, Rafael Gutierrez, Gianaurelio Cuniberti, Mattan Hurevich, Others
(2019).
Direct Assembly and Metal-Ion Binding Properties of Oxytocin Monolayer on Gold Surfaces.
Langmuir.
7
Lidija Kanižaj, Krešimir Molčanov, Filip Torić, Damir Pajić, Ivor Lončarić, Šantić Ana, Marijana Jurić
(2019).
Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr (C 2 O 4) 3] 3- and Cr 2 O 7 2-.
Dalton Transactions.
8
Ivor Lončarić, M Alducin, JI Juaristi, D Novko
(2019).
CO Stretch Vibration Lives Long on Au (111).
The journal of physical chemistry letters.
2018
1
Stipe Lukin, Martina Tireli, Ivor Lončarić, Dajana Barisic, Primož Šket, Domagoj Vrsaljko, Marco Di Michiel, Janez Plavec, Krunoslav Užarević, Ivan Halasz
(2018).
Mechanochemical carbon-carbon bond formation that proceeds via a cocrystal intermediate.
Chemical Communications.
2
Ivor Lončarić, Zoran Rukelj, Vyacheslav M Silkin, Vito Despoja
(2018).
Strong two-dimensional plasmon in Li-intercalated hexagonal boron-nitride film with low damping.
npj 2D Materials and Applications.
3
Stipe Lukin, Ivor Lončarić, Martina Tireli, Tomislav Stolar, Maria v Blanco, Predrag Lazić, Krunoslav Užarević, Ivan Halasz
(2018).
Experimental and Theoretical Study of Selectivity in Mechanochemical Cocrystallization of Nicotinamide with Anthranilic and Salicylic Acid.
Crystal Growth & Design.
4
Marijana Jurić, Lidija Androš Dubraja, Jasminka Popović, Krešimir Molčanov, Torić Filip, Pajić Damir, Ivor Lončarić
(2018).
From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr III Nb V] complexes.
Dalton Transactions.
5
Jiandong Feng, Hendrik Deschout, Sabina Caneva, Stephan Hofmann, Ivor Lončarić, Predrag Lazić, Aleksandra Radenovic
(2018).
Imaging of optically active defects with nanometer resolution.
Nano Letters.
2017
1
Ivor Lončarić, Gernot Füchsel, JI Juaristi, Peter Saalfrank
(2017).
Strong anisotropic interaction controls unusual sticking and scattering of CO at Ru (0001).
Physical Review Letters.
2
Dino Novko, Ivor Lončarić, María Blanco-Rey, J Iñaki Juaristi, Maite Alducin
(2017).
Energy loss and surface temperature effects in ab initio molecular dynamics simulations: N adsorption on Ag (111) as a case study.
Physical Review B.
3
Ivor Lončarić, Jasminka Popović, Vito Despoja, Sanja Burazer, Ivan Grgičević, Dean Popović, Željko Skoko
(2017).
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.
2016
1
Robert Scholz, Gereon Floß, Peter Saalfrank, Gernot Füchsel, Ivor Lončarić, JI Juaristi
(2016).
Femtosecond-laser induced dynamics of CO on Ru (0001): Deep insights from a hot-electron friction model including surface motion.
Physical Review B.
2
Ivor Lončarić, M Alducin, JI Juaristi
(2016).
Molecular dynamics simulation of O 2 adsorption on Ag (110) from first principles electronic structure calculations.
Physical Chemistry Chemical Physics.
3
Ivor Lončarić, M Alducin, P Saalfrank, JI Juaristi
(2016).
Femtosecond-laser-driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag (110).
Physical Review B.
2015
1
Ivor Lončarić, M Alducin, J I Juaristi
(2015).
Dissociative dynamics of O 2 on Ag (110).
Physical Chemistry Chemical Physics.
2014
1
Ivor Lončarić, Vito Despoja
(2014).
Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag (111).
Physical Review B.
2013
1
V Despoja, Ivor Lončarić, DJ Mowbray, L Marušić
(2013).
Quasiparticle spectra and excitons of organic molecules deposited on substrates: G 0 W 0-BSE approach applied to benzene on graphene and metallic substrates.
Physical Review B.