P. Morzyński, M. Bober "Response of optical atomic clocks to transient variations in fundamental constants" Measurement257 (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
Yanbin Wang, J. Rydzewski, Ming Chen "Constructing Generalized Sample Transition Probabilities with Biased Simulations" J. Chem. Theory Comput. (2025), - DOI: https://doi.org/10.1021/acs.jctc.5c01307
W. Jaskólski "Electric field-defined superlattices in bilayer graphene: formation of topological bands in two dimensions" MaterialsXXX (2025), XXX-XXX DOI: XXX
W. Jaskólski "Electric field-defined superlattices in bilayer graphene: formation of topological bands in two dimensions" Materials18 (2025), 1521-1530 DOI: https://doi.org/10.3390/ma18071521
R. Chakraborty, S. Ahmadkhani, Julian Świerczyński, K. Boguslawski, P. Tecmer "Expectation Value-pCCD-Based Methods for Single-Electron Properties" J. Phys. Chem. A129 (2025), 6713-6732 DOI: 10.1021/acs.jpca.5c03859
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. T345 (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. C129 (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
