Chen Li, Ryan Requist, E. K. U. Gross (2026). Time-dependent density functional theory of electrons and quantum nuclei. Physical Review Letters, in press.

Yefei Guo, Yichen Jin, Sujun Guan, Elena Voloshina, Yuriy Dedkov (2026). Defect engineering in layered MPS3 (M: Fe, Co, and Ni) materials probed by in situ X-ray spectroscopy. Surfaces and Interfaces.

Yuriy Dedkov, Lucija Malkoč, Yefei Guo, Alexei Preobrajenski, Felix Grünbaum, Jonas Flood, Mikhail Fonin, Elena Voloshina (2026). Site-Selective Electron Doping and Emerging Ferrimagnetism in K-Intercalated Layered CoPS3 without Metallization. The Journal of Physical Chemistry C.

Lucija Malkoč, Yefei Guo, Marin Petrović, Nataša Vujičić, Günther Thiele, Alexei Preobrajenski, Mikhail Fonin, Elena Voloshina, Yuriy Dedkov (2026). Electron-Phonon-Driven Temperature-Adaptive Optoelectronics in the van der Waals Ferroelectric SnP2S6. ACS Applied Electronic Materials.

Kevin Rossi, Federico Grasselli, Amila Akagic, Jesper Friis, Ivor Lončarić, Theodore Pavloudis, Joseph Kioseoglou, Johannes Wasmer, Attila Cangi, Stefan Blügel, Others (2026). 2026 Roadmap on Digitalising Materials Science. Journal of Physics: Materials.

Elena Voloshina, Yuriy Dedkov (2026). Janus Engineering of Polar Magnetism and Valley Splitting in CuCrP2X6 (X: S, Se) Monolayers. The Journal of Physical Chemistry Letters.

Lukas Hörmann, Hemanadhan Myneni, Rwayda Kh. S. Al-Hamd, Katarina Batalović, Silvia Bonfanti, Federico Grasselli, Saulius Gražulis, Bahattin Koç, Konstantinos Konstantinou, Ivor Lončarić, Nataliya Lopanitsyna, José Manuel Oliveira, Paolo Pegolo, Patrícia Ramos, Kevin Rossi, Sebastian P. Schwaminger, Edith Simmen, Milica Todorović, Markus Stricker, Jonathan Schmidt (2026). Journal research data policies in materials science. Digital Discovery, 5, 2795–2808.

Elena Voloshina, Yuriy Dedkov (2026). Substrate-induced magnetism in graphene: a minireview. NPG Asia Materials.

Yefei Guo, Yuriy Dedkov, Elena Voloshina (2026). Perspectives on the application of layered MPX3 materials (M: transition metal, X: chalcogen) in confined catalysis and energy applications. iScience.

William P. Wood, Mihails Arhangelskis, Erika Bartůňková, Carlos E. S. Bernardes, A. Daniel Boese, Doris E. Braun, Dejan-Krešimir Bučar, Helena Butkiewicz, Ctirad Červinka, Bartolomeo Civalleri, Nicolas Couvrat, Erik De Ronde, Lorenzo Donà, Martin Dračínský, Dzmitry Firaha, Michal Fulem, Reynaldo Geronia II, Natalia Goncharova, Marlena Gryl, Johannes Hoja, Anna Hoser, Joanna Krzeszczakowska, Alexander List, Ivor Lončarić, Bruno Mladineo, Jonas Nyman, Edgar Olehovics, Mattia Raimondo, Ivo B. Rietveld, Rute I. S. Rodrigues, Luca Russo, Matteo Salvalaglio, Mafalda Sarraguça, Jiří Šnajdr, Vojtěch Štejfa, Guangxu Sun, Paul Tinnemans, Pamela S. Whitfield, Zhuocen Yang, Yizu Zhang, Sarah L. Price (2026). BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs. Crystal Growth & Design, 26, 476–493.

Junhao Zhou, Yefei Guo, Elena Voloshina, Yuriy Dedkov (2025). Synthesis of graphene layers on polycrystalline Ni foil using liquid ethanol. RSC advances.

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.

Vivien Enenkel, Veronika Yastrebova, Elena Voloshina, Yuriy Dedkov, Mikhail Fonin (2025). Atomic structure and quasiparticle interference of epitaxial graphene on ferromagnetic Mn5Ge3. Advanced Electronic Materials.

Elena Voloshina, Frederik Schiller, Khadiza Ali, Alaa Mohammed Idris Bakhit, Rodrigo Castrillo-Bodero, Beate Paulus, Yuriy Dedkov (2025). Europium intercalation as a route to modulate electronic and magnetic properties of h-BN/Ni(111). Nanoscale.

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.

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.

Yuriy Dedkov, Elena Voloshina (2025). Beyond pristine layers: Engineering van der Waals MPX3 materials (M: Transition Metal, X: Chalcogen) via defects, adsorption, and intercalation. Small Science.

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.

Yichen Jin, Yefei Guo, Junhao Zhou, Zhian Xu, Yanfeng Guo, Lucija Malkoč, Marin Petrović, Yuriy Dedkov, Elena Voloshina (2025). Correlation effects in van der Waals CrXTe3 materials (X: Si, Ge) from X-ray spectroscopy studies. The Journal of Physical Chemistry C.

Galit Cohen, Rachel Steinitz-Eliyahu, E. K. U. Gross, Sivan Refaely-Abramson, Ryan Requist (2025). Nonadiabaticity from first principles: Exact-factorization approach for solids. Physical Review B, 112, 075102 (Editors’ Suggestion).

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.

Anastasiia Kholtobina, Ivor Lončarić (2025). Exploring elastic properties of molecular crystals with universal machine learning interatomic potentials. Materials & Design.

Bernhard Kretz, Ivor Lončarić (2025). Tuning Electronic Properties of Nanoporous Graphene. Inorganic Chemistry.

Tea Ostojić, Juraj Ovčar, Ali Hassanali, Luca Grisanti (2025). Computational investigation of uracil dimers in water and the role of classical potentials. Physical Chemistry Chemical Physics.

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.

Atta Ur Rehman, Kang Ding Han, Muhammad Umair Ali, Yanling He, Aleksandr a Sergeev, Zhengtian Yuan, Chunyang Dong, Xin Gao, Christelle a Not, Alan Man Ching Ng, Others (2025). Niobium Oxide for Microplastics Degradation—the Effect of Crystal Structure and Morphology. Small Structures.

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.

Jiaxin Zhang, Beate Paulus, Yuriy Dedkov, Elena Voloshina (2025). Proximity effects in the graphene-Co3Sn2S2 interface. Journal of Materials Chemistry C.

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.

Mikhail Fonin, Vivien Enenkel, Iva Šrut Rakić, Yuriy Dedkov, Elena Voloshina (2025). Orbital analysis of electronic states for vdW material CoPS3 by scanning probe microscopy. The Journal of Physical Chemistry C.

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.

Yefei Guo, Yu Gu, Jiali Yang, Junhao Zhou, Yichen Jin, Tingxin Li, Beate Paulus, Alexei Preobrajenski, Yuriy Dedkov, Elena Voloshina (2025). Electronic properties of graphene interfaced with multiferroic van der Waals CuCrP2S6 from X-ray spectromicroscopy and DFT. Carbon.

Teodoro Klaser, Jasminka Popović, Ivor Lončarić, Željko Skoko (2025). Structural Evolution Leading to the Thermosalient Phase Transition of Oxitropium Bromide. Molecules.

Elena Voloshina, Na Zhu, Jiaxin Zhang, Beate Paulus, Yuriy Dedkov (2025). Letter to the editor concerning “Direct spectroscopic evidence of magnetic proximity effect in MoS2 monolayer on graphene/Co”. ACS Nano.

Ivan Jakovac, Tonči Cvitanić, Denis Arčon, Mirta Herak, Dominik Cinčić, Topić Nea Baus, Yuko Hosokoshi, Toshio Ono, Ken Iwashita, Nobuyuki Hayashi, Others (2025). Properties of an organic model S=1 Haldane chain system. Physical Review B.

Ryan Requist (2025). Adiabatic perturbation theory for two-component systems with one heavy component. Physical Review B, 111, 024311.

Elena Voloshina, Yuriy Dedkov (2025). Bernal-stacked bilayer graphene on Rh(111): Clear evidence from ARPES and DFT. The Journal of Physical Chemistry C.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman, Nathan S Abraham, Srinivasulu Aitipamula, Tamador Alkhidir, Mubarak Almehairbi, Andrea Anelli, Dylan M Anstine, John E Anthony, Others (2024). The seventh blind test of crystal structure prediction: structure ranking methods. Structural Science.

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.

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.

Bruno Mladineo, Ivor Lončarić (2024). Thermosalient phase transitions from machine learning interatomic potential. Crystal Growth & Design.

Ilaria Ferraboschi, Juraj Ovčar, Kateryna v Vygranenko, Shupei Yu, Alfonso Minervino, Antoni Wrzosek, Adam Szewczyk, Riccardo Rozza, Alessandra Magistrato, Kevin D Belfield, Others (2024). Neutral rhodol-based dyes expressing localization in mitochondria. Organic & biomolecular chemistry.

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.

Ivan Žugec, R Matthias Geilhufe, Ivor Lončarić (2024). Global machine learning potentials for molecular crystals. The Journal of Chemical Physics.

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.

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.

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.

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.

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.

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.

Dino Novko, Zahra Torbatian, Ivor Lončarić (2022). Electron correlations rule the phonon-driven instability in single-layer TiSe 2. Physical Review B.

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.

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.

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.

Ivor Lončarić, Maite Alducin, J Iñaki Juaristi (2022). O2 on Ag (110): A puzzle for exchange-correlation functionals. Chemical Physics.

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.

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.

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.

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.

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.

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.

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.

Mihovil Bosnar, Ivor Lončarić, Predrag Lazić, KD Belashchenko, Igor Žutić (2020). Proximity-induced magnetization in graphene: Towards efficient spin gating. Physical Review Materials.

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.

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.

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.

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.

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.

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.

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.

Sébastien Pecqueur, Ivor Lončarić, Vinko Zlatić, Dominique Vuillaume, Željko Crljen (2019). The non-ideal organic electrochemical transistors impedance. Organic Electronics.

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.

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.

Ivor Lončarić, M Alducin, JI Juaristi, D Novko (2019). CO Stretch Vibration Lives Long on Au (111). The journal of physical chemistry letters.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

Ivor Lončarić, Maite Alducin, Peter Saalfrank, J. Iñaki Juaristi (2016). Femtosecond laser pulse induced desorption: A molecular dynamics simulation. Nuclear Instruments and Methods in Physics Research Section B, 382, 114–118.

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.

Ivor Lončarić, M Alducin, J I Juaristi (2015). Dissociative dynamics of O 2 on Ag (110). Physical Chemistry Chemical Physics.

Ivor Lončarić, Vito Despoja (2014). Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag (111). Physical Review B.

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.