1. G.K. Nayak, P. Srinivasan, J. Todt, R. Daniel, P. Nicolini, D. Holec
    Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: A case study of silicon nitride
    Computational Materials Science 249 (2025) 113629(1)-113629(11).
  2. L. Amidani, J. J. Joos, P. Glatzel, J. Kolorenč
    Magnetic exciton of EuS revealed by resonant inelastic x-ray scattering
    Physical Review Letters 134 (2025) 046401(1)-046401(7).
  3. C. Li, V. Pokorný, M. Žonda, J.-C. Liu, P. Zhou, O. Chahib, T. Glatzel, R. Häner, S. Decurtins, S.-X. Liu, R. Pawlak, E. Meyer
    Individual Assembly of Radical Molecules on Superconductors: Demonstrating Quantum Spin Behavior and Bistable Charge Rearrangement
    ACS Nano 19 (2025) 3403-3413.
  4. O. Babčenko, M. Sojková, M. Hulman, J. Čermák, A. Kromka, V.E.P. Claerbout, P. Nicolini, D. López-Carballeira, J. Kuliček, B. Rezek
    Self-Oriented MoS2 Nanosheets on Microcrystalline Diamond Layers: Controlled Synthesis and Optoelectronic Effects
    ACS Applied electronic Materials 7 (2025) 1004-1018.
  5. P. Galář, J. Kopenec, R. Král, F. Matějka, P. Zemenová, M. Dopita, P. Hapala, D. König, P. Vrbka, K. Kůsová
    Engineering the Thermal and Energy-Storage Properties in Quantum Dots Using Dominant Faceting: The Case Study of Silicon
    ACS Nano 19 (2025) 2196-2122.
  6. S. Cichoň, F. Máca, V. Drchal, K. Horáková, I. Kratochvílová, J. Lančok, V. Cháb, P. Čermák, Č. Drašar, J. Navrátil
    Doping of the n-type Bi2Se3 single crystal with Fe, Ru, Os and Mo
    Journal of Physics and Chemistry of Solids 185 (2024) 111794(1)-111794(10).
  7. M. Krawczyk, J. Pawłowski, M. M. Maśka, K. Roszak
    Data-driven criteria for quantum correlations
    Physical Review A 109 (2024) 022405(1)-022405(12).
  8. O. Čertík, J.E. Pask, I. Fernando, R. Goswami, N. Sukumar, L.A. Collins, G. Manzini, J. Vackář
    High-order finite element method for atomic structure calculations
    Computer Physics Communications 297 (2024) 109051(1)-109051(17).
  9. O. Koloskova, B. Chatterjee, L. Havela, T. Gouder, J. Kolorenč
    5f-electron localization in uranium binary hydrides: Photoelectron spectroscopy
    Physical Review B 109 (2024) 075165(1)-075165(9).
  10. M. M. Strzałka, R. Filip, K. Roszak
    Qubit-environment entanglement in time-dependent pure dephasing
    Physical Review A 109 (2024) 032412(1)-032412(8).
  11. V. Janiš, V. Pokorný, Š. Kos
    Failure of the Baym-Kadanoff construction to match consistently quantum dynamics with thermodynamic critical behavior
    Physical Review B 109 (2024) 075171(1)-075171(12).
  12. A. Kalvová, V. Špička, B. Velický, P. Lipavský
    Fast corrections to the generalized Kadanoff-Baym ansatz
    Physical Review B 109 (2024) 134306(1)-134306(16).
  13. E. Gnecco, P. Nicolini
    Atomic-scale stick-slip through a point defect
    Physical Review B 109 (2024) 134103(1)-134103(6).
  14. A. Apostolakis, G. Aoust, G. Maisons, L. Laurent, M. F. Pereira
    Photoacoustic spectroscopy using a quantum cascade laser for analysis of ammonia in water solutions
    ACS Omega 9 (2024) 1912(7)-1913(5).
  15. P. Zalom, M. Žonda, T. Novotný
    Hidden symmetry in interacting-quantum-dot-based multiterminal Josephson junctions
    Physical Review Letters 132 (2024) 126505(1)-126505(6).
  16. M. Manikandan, P. Nicolini, P. Hapala
    Computational design of photosensitive polymer templates to drive molecular nanofabrication
    ACS Nano 18 (2024) 9969-9979.
  17. A. Cammarata, M. Dašić, P. Nicolini
    Integrating Newton’s Equations of Motion in the Reciprocal Space
    Journal of Chemical Physics 161 (2024) 084111(1)-084111(14).
  18. N. Oinonen, A. V. Yakutovich, A. J. Gallardo Caparrós, M. Ondráček, P. Hapala, O. Krejčí
    Advancing scanning probe microscopy simulations: A decade of development in probe-particle models
    Computer Physics Communications 305 (2024) 109341(1)-109341(12).
  19. A. Šik, U. Wdowik, I. Halevy, D. Legut
    Spin and orbital magnetic moments of UTe2 induced by the external magnetic field
    Scientific Reports 14 (2024) 25337(1)-25337(9).
  20. F. Khodabandehlou, C. Maes, I. Maes, K. Netočný
    The vanishing of excess heat for nonequilibrium processes reaching zero ambient temperature
    Annales Henri Poincaré 25 (2024) 3371-3403.
  21. F. Khodabandehlou, C. Maes, K. Netočný
    On the Poisson equation for nonreversible Markov jump processes
    Journal of Mathematical Physics 65 (2024) 043301(1)-043301(14).
  22. P. Zalom, K. Wrześniewski, T. Novotný, I. Weymann
    Double quantum dot Andreev molecules: Phase diagrams and critical evaluation of effective models
    Physical Review B 110 (2024) 134506(1)-134506(19).
  23. J. Carracedo-Cosme, P. Hapala, P. Rubén
    Atomic force microscopy simulations for CO-functionalized tips with deep learning
    Machine Learning - Science and Technology 5 (2024) 025025(1)-025025(11).
  24. S. Das, D. Dey, R. Raghunathan, Z. G. Soos, M. Kumar, S. Ramasesha
    Quantum phase transitions in skewed ladder systems
    Physical Chemistry Chemical Physics 26 (2024) 36-46.
  25. A. Šik, E. Belsch, A. I. Lichtenstein
    Magnetism and electronic structure of a Dy adatom on a MgO(001) substrate.
    Physical Review B 108 (2023) L180408(1)-L180408(6).
  26. P. Zalom
    Rigorous Wilsonian renormalization group for impurity models with a spectral gap
    Physical Review B 108 (2023) 195123(1)-195123(17).
  27. O. Stejskal, M. Veis, J. Hamrle
    Theoretical studies of enhanced anomalous Nernst effect in Fe3Ga
    Physical Review Materials 7 (2023) 084403(1)-084403(6).
  28. A. Kalvová, V. Špička, B. Velický, P. Lipavský
    Dynamical vertex correction to the generalized Kadanoff-Baym Ansatz
    EPL: Europhysics Letters 141 (2023) 16002(1)-16002(6).
  29. K. Roszak, J. Korbicz
    Purifying teleportation
    Quantum 7 (2023) 923(1)-923(16).
  30. T. Salamon, M. Płodzień, M. Lewenstein, K. Roszak
    Qubit-environment entanglement outside of pure decoherence: Hyperfine interaction
    Physical Review B 107 (2023) 085428(1)-085428(8).
  31. L. Havela, D. Legut, J. Kolorenč
    Hydrogen in actinides: electronic and lattice properties
    Reports on Progress in Physics 86 (2023) 056501(1)-056501(25).
  32. M. Liao, A. Silva, L. Du, P. Nicolini, V.E.P. Claerbout, D. Kramer, R. Yang, D. Shi, T. Polcar, G. Zhang
    Twisting Dynamics of Large Lattice-Mismatch van der Waals Heterostructures
    ACS Applied Materials and Interfaces 15 (2023) 19616-19623.
  33. V. Pokorný, M. Žonda
    Effective low-energy models for superconducting impurity systems
    Physical Review B 107 (2023) 155111(1)-155111(14).
  34. M. Žonda, P. Zalom, T. Novotný, G. Loukeris, J. Bätge, V. Pokorný
    Generalized atomic limit of a double quantum dot coupled to superconducting leads
    Physical Review B 107 (2023) 115407(1)-115407(16).
  35. A. Šik, I. Halevy, M. Tchaplianka, D. Legut
    Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets
    Scientific Reports 13 (2023) 2646(1)-2646(9).
  36. M. Liao, P. Nicolini, T. Polcar
    Separating anisotropic and isotropic friction between atomic force microscope tips and atomically flat surfaces
    Physical Review B 107 (2023) 195442(1)-195442(10).
  37. Pritha Dolai, Christian Maes, K. Netočný
    Calorimetry for active systems
    SciPost Physics 14 (2023) 126(1)-126(18).
  38. Faezeh Khodabandehlou, Christian Maes, K. Netočný
    A Nernst heat theorem for nonequilibrium jump processes
    Journal of Chemical Physics 158 (2023) 204112(1)-204112(10).
  39. F. Slanina, M. Kotrla
    Hydrodynamic approximations for driven dense colloidal mixtures in narrow pores
    Physical Review E 107 (2023) 064606 (1)-064606 (14).
  40. B. Rzepkowski, K. Roszak
    Signature of quantumness in pure decoherence control
    Physical Review A 108 (2023) 012412 (1)-012412 (11).
  41. P. Kalinay, F. Slanina
    Ratchet effect in an asymmetric two-dimensional system of Janus particles
    Physical Review E 108 (2023) 014606(1)-014606(10).
  42. M. Novák, J. Vackář, R. Cimrman, O. Šipr
    Adaptive Anderson mixing for electronic structure calculations
    Computer Physics Communications 292 (2023) 108865(1)-108865(18).
  43. O. Šipr, S. Mankovsky, J. Vackář, H. Ebert, A. Marmodoro
    Temperature-induced changes in the magnetism of Laves phase rare-earth-iron intermetallics by ab initio calculations
    Physical Review B 106 (2022) 144416-1-144416-6.
  44. V. Cháb, V. Drchal, F. Máca, J. Kudrnovský, S. Cichoň, J. Lančok, O. Heczko
    Effect of Twinning on Angle-Resolved Photoemission Spectroscopy Analysis of Ni49.7Mn29.1Ga21.2(100) Heusler Alloy
    Materials 15 (2022) 717(1)-717(10).
  45. J. Doležal, S. Canola, P. Hapala, R. C. de Campos Ferreira, P. Merino, M. Švec
    Real space visualization of entangled excitonic states in charged molecular assemblies
    ACS Nano 16 (2022) 1082-1088.
  46. A. Apostolakis, A. G. Balanov, F. V. Kusmartsev, K. N. Alekseev
    Beyond the ordinary acoustoelectric effect: Superluminal phenomena in the acoustic realm and phonon-mediated Bloch gain
    Physical Review B 106 (2022) 014312(1)-014312(22).
  47. P. Zalom, M. Žonda
    Subgap states spectroscopy in a quantum dot coupled to gapped hosts: Unified picture for superconductor and semiconductor bands
    Physical Review B 105 (2022) 205412(1)-205412(19).
  48. V. Bellini, S. Rusponi, J. Kolorenč, S. K. Mahatha, M. A. Valbuena, L. Persichetti, M. Pivetta, B. V. Sorokin, D. Merk, S. Reynaud, D. Sblendorio, S. Stepanow, C. Nistor, P. Gargiani, D. Betto, A. Mugarza, P. Gambardella, H. Brune, C. Carbone, A. Barla
    Slow magnetic relaxation of Dy adatoms with in-plane magnetic anisotropy on a two-dimensional electron gas
    ACS Nano 16 (2022) 11182-11193.
  49. M. Tchaplianka, A. Šik, J. Kolorenč
    Modeling of Co impurity in Cu host using DFT+ED
    Journal of Physics: Conference Series 2164 (2022) 012045(1)-012045(4).
  50. S. Cichoň, V. Drchal, K. Horáková, V. Cháb, I. Kratochvílová, F. Máca, P. Čermák, K. Čermák Šraitrová, J. Navrátil, J. Lančok
    Topological Insulator Bi2Te3: The Effect of Doping with Elements from the VIII B Column of the Periodic Table
    Journal of Physical Chemistry C 126 (2022) 14529-14536.