Scientific Papers

Comparative quantum chemical and spectral characterization of meso-tetra (4-sulfonatophenyl) porphine forms as seeds for J-and H-aggregates

Baliulyte, L., Abramavicius, D., Bagdonas, S., Kalnaityte, A., Poderys, V., Rotomskis, R., & Barzda, V. (2023). Comparative quantum chemical and spectral characterization of meso-tetra (4-sulfonatophenyl) porphine forms as seeds for J-and H-aggregates. AIP Advances13(10) (Q4,HPC).


The application of the SCAN density functional to color centers in diamond

Maciaszek, M., Žalandauskas, V., Silkinis, R., Alkauskas, A., & Razinkovas, L. (2023). The application of the SCAN density functional to color centers in diamond. The Journal of Chemical Physics159(8) (Q1,HPC).


Concentration quenching of fluorescence in thin films of zinc-phthalocyanine

Tamošiūnaitė, J., Streckaitė, S., Chmeliov, J., Valkunas, L., & Gelzinis, A. (2023). Concentration quenching of fluorescence in thin films of zinc-phthalocyanine. Chemical Physics, 572, 111949 (Q3,HPC).


Application of artificial neural networks for modeling of electronic excitation dynamics in 2D lattice: Direct and inverse problems

Juknevicius, P., Chmeliov, J., Valkunas, L., & Gelzinis, A. (2023). Application of artificial neural networks for modeling of electronic excitation dynamics in 2D lattice: Direct and inverse problems. AIP Advances, 13(3) (Q4,HPC).


TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometries

Jovaišaitė, J., Baronas, P., Jonusauskas, G., Gudeika, D., Gruodis, A., Gražulevičius, J. V., & Juršėnas, S. (2023). TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometries. Physical Chemistry Chemical Physics (Q1,HPC).


Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy

Zakutauskaitė, K., Mačernis, M., Nguyen, H. H., Ogilvie, J. P., & Abramavičius, D. (2023). Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy. The Journal of Chemical Physics158(1), 015103 (Q1,HPC).


Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states

Jakučionis, M., Žukas, A., & Abramavičius, D. (2023). Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states. Physical Chemistry Chemical Physics (Q1,HPC).


Optical properties of SiV and GeV color centers in nanodiamonds under hydrostatic pressures up to 180 GPa

Vindolet, B., Adam, M. P., Toraille, L., Chipaux, M., Hilberer, A., Dupuy, G., … & Roch, J. F. (2022). Optical properties of SiV and GeV color centers in nanodiamonds under hydrostatic pressures up to 180 GPa. Physical Review B106(21), 214109 (Q1,HPC).


Thermodynamics of carbon point defects in hexagonal boron nitride

Maciaszek, M., Razinkovas, L., & Alkauskas, A. (2022). Thermodynamics of carbon point defects in hexagonal boron nitride. Physical review materials6(1), 014005 (Q2,HPC).


Spin correlation coefficient for proton-He 3 elastic scattering at 100 MeV

Watanabe, A., Nakai, S., Sekiguchi, K., Deltuva, A., Goto, S., Hatanaka, K., … & Wakasa, T. (2022). Spin correlation coefficient for proton-He 3 elastic scattering at 100 MeV. Physical Review C106(5), 054002 (Q1,HPC).