Publications

2026

• P. Morzyński, M. Bober
  "Response of optical atomic clocks to transient variations in fundamental constants"
  Measurement 257 (2026), 118682
  DOI: 10.1016/j.measurement.2025.118682

2025

• Arghya Ghosh, S. Jana, Manoar Hossain, Dimple Rani, S. Śmiga, Prasanjit Samal
  "Advancing excited-state properties of two-dimensional materials using a dielectric-dependent hybrid functional"
  Phys. Rev. B. 112 (2025), 045128-1-045128-19
  DOI: 10.1103/8vvn-k9p3


• I. Sawicki, Vincenzo Triglione, S. Jana, S. Śmiga
  "An Analysis of Regularized Second-Order Energy Expressions in the Context of Post-HF and KS-DFT Calculations: What Do We Gain and What Do We Lose?"
  J. Chem. Theory Comput. 21 (2025), 2928-2941
  DOI: 10.1021/acs.jctc.4c01547


• B. Tyrcha, T. Gupta, Konrad Patkowski, P. Żuchowski
  "Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties"
  J. Chem. Theory Comput. 21 (2025), 4562-4578
  DOI: 10.1021/acs.jctc.5c00238


• W. Jaskólski
  "Electric field-defined superlattices in bilayer graphene: formation of topological bands in two dimensions"
  Materials XXX (2025), XXX-XXX
  DOI: XXX


• W. Jaskólski
  "Electric field-defined superlattices in bilayer graphene: formation of topological bands in two dimensions"
  Materials 18 (2025), 1521-1530
  DOI: https://doi.org/10.3390/ma18071521


• Francesca Tonolo, H. Jóźwiak, Luca Bizzocchi, Mattia Melosso, P. Wcisło, François Lique, Cristina Puzzarini
  "Experimental and theoretical investigation on N2 pressure-induced coefficients of the lowest rotational transitions of HCN"
  J. Quant. Spectrosc. Radiat. T 345 (2025), 109521
  DOI: 10.1016/j.jqsrt.2025.109521


• Jorien R. Duivenvoorden, P. Targowski, M. Sylwestrzak, Magdalena Iwanicka, Jana Striova, Diego Quintero Balbás, Antonina Chaban, Raffaella Fontana, Francesca Rosi, Francesca Sabatini, Laura Cartechini, Brenda Doherty, Letizia Monico, Mixon Faluweki, Patrick Atkinson, Chi Shing Cheung, Haida Liang, Joshua A. Hill, Donata Magrini, Georgios Karagiannis, Stamatios Amanatiadis, Joen J. Hermans, Katrien Keune
  "How to approach long-term monitoring of chemical dynamics in oil paintings?"
  Herit. Sci. 13 (2025), 1-15
  DOI: 10.1038/s40494-025-01583-4


• S. Jana, Abhishek Bhattacharjee, Suman Mahakal, S. Śmiga, Prasanjit Samal
  "Meta-GGA dielectric-dependent and range-separated screened hybrid functional for reliable prediction of material properties"
  Phys. Rev. B. 111 (2025), 115125-1-115125-15
  DOI: 10.1103/PhysRevB.111.115125


• Raul Guerrero-Aviles, Andres Ayuela, Leonor Chico, W. Jaskólski, M. Pelc
  "Momentum-locked spin between topological and defect states in 1D patterns on bilayer grap"
  Sci. Rep. 15 (2025), 28058-28067
  DOI: https://doi.org/10.1038/s41598-025-12215-z


• Raul Guerrero-Aviles, Andres Ayuela, Leonor Chico, W. Jaskólski, M. Pelc
  "Momentum-locked Spin Between Topological and Defect States in 1D Patterns on Bilayer Graphene"
  Sci. Rep. 15 (2025), 1-9
  DOI: https://doi.org/10.1038/s41598-025-12215-z


• S. Jana, Arghya Ghosh, Abhishek Bhattacharjee, Dimple Rani, Manoar Hossain, Prasanjit Samal
  "Nonempirical dielectric dependent hybrid as an accurate starting point for the single shot G0W0 calculation of chalcopyrite semiconductors"
  J. Chem. Phys. 162 (2025), 064104-064104
  DOI: 10.1063/5.0240012


• M. Valipour, G. Sarbicki, K. Słowik, dr Dąbrowska Anita
  "Optimization of two-photon absorption for three-level atom"
  Phys. Rev. A. 111 (2025), 033709
  DOI: https://doi.org/10.1103/PhysRevA.111.033709


• J. Kobus, Susi Lehtola
  "Review of the finite difference Hartree–Fock method for atoms and diatomic molecules, and its implementation in the x2dhf program"
  Comp. Phys. Commun. 311 (2025), 109576
  DOI: https://doi.org/10.1016/j.cpc.2025.109576


• A. Singh, S. Jana, Lucian A. Constantin, Fabio Della Sala, Prasanjit Samal, S. Śmiga
  "Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning"
  J. Phys. Chem. Lett. 16 (2025), 8198-8208
  DOI: 10.1021/acs.jpclett.5c01441


• Suman Mahakal, Avijit Jana, S. Jana, Prasanjit Samal
  "Strain trailing band engineering and phonon transport of high ZT ZrCoBi half-Heusler alloy: a mechanistic understanding from first principles"
  Phys. Chem. Chem. Phys. 27 (2025), 10758-10776
  DOI: 10.1039/D5CP01052G


• Dimple Rani, S. Jana, Manish K. Niranjan, Prasanjit Samal
  "Thermoelectric Characteristics of Silver-Based Chalcopyrite Semiconductors: An Ab Initio Study Based on the Nonempirical Range-Separated Dielectric-Dependent Hybrid"
  J. Phys. Chem. C 129 (2025), 3784-3797
  DOI: 10.1021/acs.jpcc.4c07037


• A. Singh, Eduardo Fabiano, S. Śmiga
  "Understanding the core limitations of second-order correlation-based functionals through: functional, orbital, and eigenvalue-driven analysis"
  J. Chem. Theory Comput. 21 (2025), 6-2894-2908
  DOI: 10.1021/acs.jctc.4c01376

2024

• J. Rydzewski, T. Gökdemir
  " Learning Markovian dynamics with spectral maps "
  J. Chem. Phys. 160 (2024), 091102-
  DOI: 10.1063/5.0189241


• H. Jóźwiak, N. Stolarczyk, K. Stankiewicz, M. Zaborowski, D. Lisak, S. Wójtewicz, Jankowski Piotr, Patkowski Konrad, Szalewicz Krzysztof, Thibault Franck, Gordon Iouli E., P. Wcisło
  "Accurate reference spectra of HD in an H2-He bath for planetary applications,"
  Astron. Astrophys. 687 (2024), A69
  DOI: 10.1051/0004-6361/202449889


• Alina Wania Rodrigues, Maciej Bieniek, P. Potasz, Daniel Miravet, Ronny Thomale, Marek Korkusinski, Paweł Hawrylak
  "Atomistic theory of the moiré Hofstadter butterfly in magic-angle graphene"
  Phys. Rev. B. 109 (2024), 075166
  DOI: https://doi.org/10.1103/PhysRevB.109.075166


• W. Jaskólski
  "Controlling spin polarization of gapless states in defected trilayer graphene with a gate voltage "
  Physica E 157 (2024), 115878-115883
  DOI: https://doi.org/10.1016/j.physe.2023.115878


• MY Song, H Cho, G. Karwasz, V Kokoouline, J Tennyson
  "Cross sections for electron collisions with the CO2 molecule and CO2+ molecular ion "
  J. Phys. Chem. Ref. Data 53 (3) (2024), 3


• H. Jóźwiak, Timur V. Tscherbul, P. Wcisło
  "Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium"
  J. Chem. Phys. 160 (2024), 094304
  DOI: 10.1063/5.0193148


• Leoni Britz, Maximilian Hammer, Grzegorz Łabuz , A. Zielińska, Fabian Jester, Jan Freudenberg, Uwe Bunz, Christian Scholz, Gerd Uwe Auffarth, Timur Mert Yildirim
  "Impact of Calcium and Phosphorus Levels on Optical Deterioration in Primary and Secondary Intraocular Lens Calcification"
  Transl. Vis. Sci. Technol. 13(10) (2024), 18-18
  DOI: 10.1167/tvst.13.10.18


• M. Bartuzel, dr Alejandra Consejo, P. Stremplewski, M. Sylwestrzak, M. Szkulmowski, I. Gorczyńska
  "In vivo identification of the retinal layer containing photopigments in OCT images through correlation with two-photon psychophysics"
  Sci. Rep. 14 (2024), 15459-15459
  DOI: https://doi.org/10.1038/s41598-024-65234-7


• P. Morzyński, S. Bilicki, M. Bober, D. Kovačić, R. Ciuryło, M. Zawada, dr Nawrocki Jerzy, dr Dunst Piotr, dr Kobayashi Takumi, dr Hosaka Kazumoto, dr Akamatsu Daisuke
  "Intercontinental frequency ratio measurement of 171Yb and 88Sr optical lattice clocks"
  Metrologia 61 (2024), 045009
  DOI: 10.1088/1681-7575/ad6a1e


• P. Potasz, Nicolás Morales-Durán, Nai Chao Hu, Allan H. MacDonald
  "Itinerant ferromagnetism in transition metal dichalcogenide moiré superlattices"
  Phys. Rev. B. 109 (2024), 045144
  DOI: https://doi.org/10.1103/PhysRevB.107.054411


• Kaczkoś Oliwia, A. Zielińska, Pniewski Jacek, Wojtkowski Maciej, K. Komar
  "Method for the determination of the luminance of two-photon vision stimuli"
  Biomed. Opt. Express 15(10) (2024), 5818-5830
  DOI: 10.1364/BOE.525180


• S. Izadshenas, K. Słowik
  "Multiphoton absorption enhancement by graphene–gold nanostructure"
  Opt. Lett. 49 (2024), 3914-3917
  DOI: https://doi.org/10.1364/OL.531669


• H. Jóźwiak, Thibault Franck, Viel Alexandra, P. Wcisło, Lique François
  "Revisiting the rovibrational (de-)excitation of molecular hydrogen by helium"
  Astron. Astrophys. 685 (2024), A113
  DOI: 10.1051/0004-6361/202348645


• B. Tyrcha, F. Brzęk, P. Żuchowski
  "Second quantization-based symmetry-adapted perturbation theory: Generalizing exchange beyond single electron pair approximation"
  J. Chem. Phys. 160 (2024), 044118-1-044118-18
  DOI: 10.1063/5.0184750


• J. Rydzewski
  "Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles"
  J. Chem. Theory Comput. 20 (2024), 7775-7784
  DOI: 10.1021/acs.jctc.4c00428


• Y. Saleem, T. Steenbock, E. Alhadi, W. Pasek, G. Bester, P. Potasz
  "Superexchange Mechanism in Coupled Triangulenes Forming Spin-1 Chains"
  Nano Lett. 24 (2024), 7417-7423
  DOI: https://doi.org/10.1021/acs.nanolett.4c01604


• K. Fedus, G. Karwasz
  "Virtual states in electron-molecule scattering via modified effective-range theory"
  Phys. Rev. A. 109 (2) (2024), 022801