"VU HPC" Saulėtekis lokacija
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).
Mikalčiūtė, A., Gelzinis, A., Mačernis, M., Büchel, C., Robert, B., Valkunas, L., & Chmeliov, J. (2022). Structure-based model of fucoxanthin–chlorophyll protein complex: Calculations of chlorophyll electronic couplings. The Journal of Chemical Physics, 156(23), 234101 (Q1,HPC).
Macernis, M., Streckaite, S., Litvin, R., Pascal, A. A., Llansola-Portoles, M. J., Robert, B., & Valkunas, L. (2022). Electronic and Vibrational Properties of Allene Carotenoids. The Journal of Physical Chemistry A (Q2,HPC).
Maciaszek, M., Razinkovas, L., & Alkauskas, A. (2022). Thermodynamics of carbon point defects in hexagonal boron nitride. Physical Review Materials, 6(1), 014005 (Q2,HPC).
Voitechovič, E., Jančienė, R., Mikulskienė, G., Vektarienė, A., Vektaris, G., & Razumienė, J. (2019). Synthesis and DFT characterisation of 2-arylamino-1, 4-benzoquinone derivatives as potential electron transfer mediators. Chemija, 30(2) (Q4,HPC).
Voitechovič, E., Vektarienė, A., Vektaris, G., Jančienė, R., Razumienė, J., & Gurevičienė, V. (2020). 1,4‐Benzoquinone Derivatives for Enhanced Bioelectrocatalysis by Fructose Dehydrogenase from Gluconobacter Japonicus: Towards Promising D‐Fructose Biosensor Development. Electroanalysis, 32(5), 1005-1016 (Q2,HPC).
Voitechovič, E., Stankevičiūtė, J., Vektarienė, A., Vektaris, G., Jančienė, R., Kuisienė, N., … & Meškys, R. (2021). Bioamperometric Systems with Fructose Dehydrogenase From Gluconobacter japonicus for D‐Tagatose Monitoring. Electroanalysis, 33(6), 1393-1397 (Q2,HPC).
Adomavičiūtė-Grabusovė, S., Ramanavičius, S., Popov, A., Šablinskas, V., Gogotsi, O., & Ramanavičius, A. (2021). Selective enhancement of SERS spectral bands of salicylic acid adsorbate on 2D Ti3C2Tx-based MXene film. Chemosensors, 9(8), 223 (Q2,HPC).
Braver, Y., Valkunas, L., & Gelzinis, A. (2021). Stark absorption and Stark fluorescence spectroscopies: Theory and simulations. The Journal of Chemical Physics, 155(24), 244101 (Q1,HPC).