"VU HPC" Saulėtekis lokacija
Stocka, J., Platakyte, R., Hickman, D., Carrigan-Broda, T., Ceponkus, J., Sablinskas, V., … & Guirgis, G. A. (2023). Experimental (Raman and IR) and computational (DFT, MP2) studies of the conformational diversity of 1-chloromethyl-1-fluorosilacyclopentane molecule. Journal of Molecular Structure, 1272, 134125 (Q3,HPC).
Jasiūnas, R., Zhang, H., Gelžinis, A., Chmeliov, J., Franckevičius, M., Gao, F., & Gulbinas, V. (2022). Interplay between charge separation and hole back transfer determines the efficiency of non-fullerene organic solar cells with low energy level offset. Organic Electronics, 108, 106601 (Q2).
Driukas, S., Rutkauskas, D., Franckevičius, M., Chmeliov, J., & Gulbinas, V. (2022). Photoluminescence Dynamics of MAPI Perovskite Films Induced by Lateral Electric Field. physica status solidi (RRL)–Rapid Research Letters, 16(12), 2200293 (Q2).
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 B, 106(21), 214109 (Q1,HPC).
Zakutauskaite, K., Macernis, M., Nguyen, H., Ogilvie, J. P., & Abramavicius, D. (2022). Extracting the excitonic Hamiltonian of a Chlorophyll dimer from broadband two-dimensional electronic spectroscopy. The Journal of Chemical Physics (Q1,HPC).
Balevičius, V., Aidas, K., Maršalka, A., Kuliešius, F., Jakubkienė, V., & Tumkevičius, S. (2022). 17O NMR and DFT study of hydrogen bonding: Proton sharing and incipient transfer. Lithuanian Journal of Physics, 62(2) (Q4,HPC).
Klimavicius, V., Maršalka, A., Kizalaite, A., Zarkov, A., Kareiva, A., Aidas, K., … & Balevicius, V. (2022). Step-by-step from amorphous phosphate to nano-structured calcium hydroxyapatite: monitoring by solid-state 1 H and 31 P NMR and spin dynamics. Physical Chemistry Chemical Physics, 24(31), 18952-18965 (Q1,HPC).
Jakučionis, M., Žukas, A., & Abramavičius, D. (2022). Modeling molecular J and H aggregates using multiple-Davydov D2 ansatz. Physical Chemistry Chemical Physics, 24(29), 17665-17672. (Q1,HPC).
Macernis M., Mickus V., Ahonen J.,Diska L., Franukevicius J., Sulskus J. Still Unsolved High-Performance Computing Challenges for up to Pre-Petascale Homogeneous Supercomputers (nonISI). https://arxiv.org/abs/2210.00934
Mačernis, M., et al., Mechanism of Proton Transfer in Bacteriorhodopsin. Lithuanian Journal of Physics, 2022. 62(3): p. 127–141. (Q4, HPC).