Scientific Papers

A Three-Level Parallelisation Scheme and Application to the Nelder-Mead Algorithm

Rima Kriauzienė, Andrej Bugajev, Raimondas Čiegis A Three-Level Parallelisation Scheme and Application to the Nelder-Mead Algorithm https://arxiv.org/abs/1904.05208


Molecular aggregation in liquid acetic acid: insightfrom molecular dynamics/quantum mechanicsmodelling of structural and NMR properties

Dovile ̇Lengvinaitė, Kęstutis Aidas and Liudvikas Kimtys, Molecular aggregation in liquid acetic acid: insightfrom molecular dynamics/quantum mechanicsmodelling of structural and NMR properties ,Phys.Chem.Chem.Phys.,2019,21,14811 DOI: 10.1039/c9cp01892a


Numerical algorithms for solving the optimalcontrol problem of simple bioreactors

Raimondas Čiegis, Remigijus Čiegis, Numerical algorithms for solving the optimalcontrol problem of simple bioreactors Nonlinear Analysis: Modelling and Control, Vol. 24, No. 4, 626–638 https://doi.org/10.15388/NA.2019.4.8


Synthesis and DFT characterisation of2-arylamino-1,4-benzoquinone derivatives as potential electron transfer mediators

Edita Voitechovič, Regina Jančienė, Gema Mikulskienė, Aušra Vektarienė, Gytis Vektaris, Julija Razumienė, Synthesis and DFT characterisation of 2-arylamino-1,4-benzoquinone derivatives as potential electron transfer mediators CHEMIJA. 2019. Vol. 30. No. 2. P. 115–126


Numerical methods for accurate description of ultrashort pulses in optical fibers

Shalva Amiranashvili, Mindaugas Radziunas, Uwe Bandelow,Raimondas Čiegis, Numerical methods for accurate description of ultrashort pulses in optical fibers Commun Nonlinear Sci Numer Simulat 67 (2019) 391–402, https://doi.org/10.1016/j.cnsns.2018.07.031


Calculation of orbital fractional parentage coefficients for five particles in translationally invariant basis

Augustinas Stepšys, Saulius Mickevičius, Darius Germanas, Ramutis Kazys Kalinauskas Calculation of orbital fractional parentage coefficients for five particles in translationally invariant basis Computer Physics Communications, 236, 26-33, 2019


Can red-emitting state be responsible for fluorescence quenching in LHCII aggregates?

Andrius Gelzinis, Jevgenij Chmeliov, Alexander V. Ruban, Leonas Valkunas, Can red-emitting state be responsible for fluorescence quenching in LHCII aggregates? Photosynth Res (2018) 135:275–284 DOI: 10.1007/s11120-017-0430-7


An air-stable and solution processable tetracarboxydiimide-based materials with tunable charge transport properties

Maryte Daskeviciene, Simona Urnikaite, Greta Planciunaite , Tadas Malinauskas, Alytis Gruodis, Mindaugas Viliunas, Egidijus Kamarauskas, Valentas Gaidelis, Vygintas Jankauskas, Vytautas Getautisa, An air-stable and solution processable tetracarboxydiimide-based materials with tunable charge transport properties, Dyes and Pigments 158 (2018) 157–164 ,https://doi.org/10.1016/j.dyepig.2018.05.041


Caculating fractional parentage coefficients for six body system in translational invariant basis

Augustinas Stepšys, Saulius Mickevičius, Darius Germanas, Ramutis Kazys Kalinauskas Caculating fractional parentage coefficients for six body system in translational invariant basis, Physics of Atomic Nuclei, 2018 (Vol. 81, Nr. 6)


Extended calculations of energy levels and transition rates of Nd II-IV ions for application to neutron star mergers

G. Gaigalas, D. Kato, P. Rynkun, L. Radžiūtė, and M. Tanaka Extended calculations of energy levels and transition rates of Nd II-IV ions for application to neutron star mergers. The Astrophysical Journal Supplement Series (2018)