Research

2022

• K. Maleckaitė, D. Narkevičius, R. Žilėnaitė, J. Dodonova-Vaitkūnienė, S. Toliautas, S. Tumkevičius, and A. Vyšniauskas, “Give or Take: Effects of Electron-Accepting/-Withdrawing Groups in Red-Fluorescent BODIPY Molecular Rotors,” Molecules, 27(1), p. 23 (1-14), 2022. [DOI] [PDF] [SI]
  

  @article{Maleckaite2022-MDPIMOL,
  title = {{Give or Take: Effects of Electron-Accepting/-Withdrawing Groups
  in Red-Fluorescent BODIPY Molecular Rotors}},
  journal = {{Molecules}},
  year = {2022},
  volume = {27},
  number = {1},
  pages = {23 (1-14)},
  month = {JAN 1},
  doi = {10.3390/molecules27010023},
  author = {Karolina Maleckaitė and Domantas Narkevičius
  and Rugilė Žilėnaitė and Jelena Dodonova-Vaitkūnienė
  and Stepas Toliautas and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  }

2021

• K. Maleckaitė, J. Dodonova, S. Toliautas, R. Žilėnaitė, D. Jurgutis, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging,” Chemistry – A European Journal, 27(67), 16768-16775, 2021. [DOI] [PDF] [SI]
  

  @article{Maleckaite2021-CHEMEUR,
  title = {{Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore
  for Intracellular Viscosity Imaging}},
  journal = {{Chemistry - A European Journal}},
  year = {2021},
  volume = {27},
  number = {67},
  pages = {16768-16775},
  month = {SEP 22},
  doi = {10.1002/chem.202102743},
  author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Rugilė Žilėnaitė and Džiugas Jurgutis and Vitalijus Karabanovas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  }

2020

• A. Polita, S. Toliautas, R. Žvirblis, and A. Vyšniauskas, “The effect of solvent polarity and macromolecular crowding on the viscosity sensitivity of a molecular rotor BODIPY-C10,” Physical Chemistry Chemical Physics, 22(16), 8296-8303, 2020. [DOI] [PDF] [SI]
  

  @article{Polita2020-PCCP22,
  title = {{The effect of solvent polarity and macromolecular crowding
  on the viscosity sensitivity of a molecular rotor BODIPY-C10}},
  journal = {{Physical Chemistry Chemical Physics}},
  year = {2020},
  volume = {22},
  number = {16},
  pages = {8296-8303},
  month = {FEB 20},
  doi = {10.1039/C9CP06865A},
  author = {Arturas Polita and Stepas Toliautas
  and Rokas Žvirblis and Aurimas Vyšniauskas},
  }

2019

• S. Toliautas, J. Dodonova, A. Žvirblis, I. Čiplys, A. Polita, A. Devižis, S. Tumkevičius, J. Šulskus, and A. Vyšniauskas, “Enhancing the viscosity-sensitive range of a BODIPY molecular rotor by two orders of magnitude,” Chemistry – A European Journal, 25(44), 10342-10349, 2019. [DOI] [PDF] [SI]
  

  @article{Toliautas2019-CHEMEUR,
  title = {{Enhancing the viscosity-sensitive range
  of a BODIPY molecular rotor by two orders of magnitude}},
  journal = {{Chemistry - A European Journal}},
  year = {2019},
  volume = {25},
  number = {44},
  pages = {10342-10349},
  month = {APR 18},
  doi = {10.1002/chem.201901315},
  author = {Stepas Toliautas and Jelena Dodonova and Audrius Žvirblis
  and Ignas Čiplys and Artūras Polita and Andrius Devižis
  and Sigitas Tumkevičius and Juozas Šulskus and Aurimas Vyšniauskas},
  }

2018

• Y. A. Dyakov, S. Toliautas, L. I. Trakhtenberg, and L. Valkunas, “Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: theoretical study,” Chemical Physics, 515, 672-678, 2018. [DOI] [PDF]
  

  @article{Dyakov2018-CP515,
  title = {{Excited state photodissociation dynamics
  of 2-, 3-, 4-hydroxyacetophenone: theoretical study}},
  journal = {{Chemical Physics}},
  year = {2018},
  volume = {515},
  pages = {672-678},
  month = {NOV 14},
  doi = {10.1016/j.chemphys.2018.07.020},
  author = {Yuri A. Dyakov and Stepas Toliautas
  and Leonid I. Trakhtenberg and Leonas Valkunas},
  }

2016

• K. Redeckas, S. Toliautas, R. Steponaviciute, A. Sackus, J. Sulskus, and M. Vengris, “A femtosecond stimulated Raman spectroscopic study on the oxazine ring opening dynamics of structurally-modified indolobenzoxazines,” Chemical Physics Letters, 653, 67-72, 2016. [DOI] [PDF] [SI]
  

  @article{Redeckas2016-CPL653,
  Author = {Redeckas, Kipras and Toliautas, Stepas and Steponaviciute, Rasa
  and Sackus, Algirdas and Sulskus, Juozas and Vengris, Mikas},
  Title = {{A femtosecond stimulated Raman spectroscopic study
  on the oxazine ring opening dynamics
  of structurally-modified indolobenzoxazines}},
  Journal = {{Chemical Physics Letters}},
  Year = {2016},
  Volume = {653},
  Pages = {67-72},
  Month = {JUN 1},
  DOI = {10.1016/j.cplett.2016.04.030},
  }

2014

• A. Kadashchuk, Y. Skryshevski, A. Vakhnin, S. Toliautas, J. Sulskus, R. Augulis, V. Gulbinas, S. Nespurek, J. Genoe, and L. Valkunas, “Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer,” Journal Of Physical Chemistry C, 118(40), 22923-22934, 2014. [DOI] [PDF] [SI]
  

  @article{Kadashchuk2014-JPCC118,
  Author = {Kadashchuk, Andrey and Skryshevski, Yuri and Vakhnin, Alexandr
  and Toliautas, Stepas and Sulskus, Juozas
  and Augulis, Ramunas and Gulbinas, Vidmantas
  and Nespurek, Stanislav and Genoe, Jan and Valkunas, Leonas},
  Title = {{Highly efficient intrinsic phosphorescence
  from a sigma-conjugated poly(silylene) polymer}},
  Journal = {{Journal Of Physical Chemistry C}},
  Year = {2014},
  Volume = {118},
  Number = {40},
  Pages = {22923-22934},
  Month = {OCT 9},
  DOI = {10.1021/jp506959m},
  }

• S. Toliautas, M. Macernis, J. Sulskus, and L. Valkunas, “Solvent effect on the photo-induced proton transfer in 2-(N-methyl-alpha-iminoethyl)-phenol,” Chemical Physics Letters, 591, 52-57, 2014. [DOI] [PDF] [SI]
  

  @article{Toliautas2014-CPL591,
  Author = {Toliautas, Stepas and Macernis, Mindaugas
  and Sulskus, Juozas and Valkunas, Leonas},
  Title = {{Solvent effect on the photo-induced proton transfer
  in 2-(N-methyl-alpha-iminoethyl)-phenol}},
  Journal = {{Chemical Physics Letters}},
  Year = {2014},
  Volume = {591},
  Pages = {52-57},
  Month = {JAN 20},
  DOI = {10.1016/j.cplett.2013.10.084},
  }

2012

• S. Toliautas, J. Sulskus, L. Valkunas, and M. Vengris, “Quantum chemical studies of photochromic properties of benzoxazine compound,” Chemical Physics, 404, 64-73, 2012. [DOI] [PDF]
  

  @article{Toliautas2012-CP404,
  Author = {Toliautas, Stepas and Sulskus, Juozas
  and Valkunas, Leonas and Vengris, Mikas},
  Title = {{Quantum chemical studies of photochromic properties
  of benzoxazine compound}},
  Journal = {{Chemical Physics}},
  Year = {2012},
  Volume = {404},
  Pages = {64-73},
  Month = {AUG 24},
  DOI = {10.1016/j.chemphys.2012.03.006},
  }

2022

• S. Toliautas, “Scaling the hardware zoo: user-side timings of common quantum chemistry routines,” in EuroCC workshop and training on using HPC: abstract book, Vilnius, 2022. [LT/EN] [PDF]
  

  @inproceedings{Toliautas-NCCWS,
  Author = {Stepas Toliautas},
  Title = {{Scaling the hardware zoo: user-side timings of common quantum chemistry routines}},
  Booktitle = {{EuroCC workshop and training on using HPC: abstract book}},
  Year = {2022},
  Month = {DEC 16},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {LT/EN},
  }

• D. Palinauskas and S. Toliautas, “Substitution at BODIPY fragment effects on excited state potential energy surface,” in EuroCC workshop and training on using HPC: abstract book, Vilnius, 2022. [LT/EN]
  

  @inproceedings{Palinauskas-NCCWS,
  Author = {Delianas Palinauskas and Stepas Toliautas},
  Title = {{Substitution at BODIPY fragment effects on excited state potential energy surface}},
  Booktitle = {{EuroCC workshop and training on using HPC: abstract book}},
  Year = {2022},
  Month = {DEC 16},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {LT/EN},
  Presenter = {Delianas Palinauskas},
  }

• S. Toliautas, A. Polita, K. Maleckaitė, and A. Vyšniauskas, “Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book, Vilnius, 2022. [EN]
  

  @inproceedings{Toliautas-EDS2022,
  Author = {Stepas Toliautas and Artūras Polita and Karolina Maleckaitė and Aurimas Vyšniauskas},
  Title = {{Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors}},
  Booktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},
  Year = {2022},
  Month = {AUG 24},
  Publisher = {{Center for Physical Sciences and Technology}},
  Address = {Vilnius},
  Note = {EN},
  }

• K. Maleckaitė, J. Dodonova-Vaitkūnienė, S. Toliautas, D. Jurgutis, R. Žilėnaitė, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book, Vilnius, 2022. [EN]
  

  @inproceedings{Maleckaite-EDS2022,
  Author = {Karolina Maleckaitė and Jelena Dodonova-Vaitkūnienė and Stepas Toliautas
  and Džiugas Jurgutis and Rugilė Žilėnaitė and Vitalijus Karabanovas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity}},
  Booktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},
  Year = {2022},
  Month = {AUG 24},
  Publisher = {{Center for Physical Sciences and Technology}},
  Address = {Vilnius},
  Note = {EN},
  Presenter = {Karolina Maleckaitė},
  }

• S. Toliautas, D. Palinauskas, and A. Vyšniauskas, “Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes,” in 14th European conference on Atoms molecules and photons: abstract book, Vilnius, 2022. [EN] [PDF]
  

  @inproceedings{Toliautas-ECAMP14,
  Author = {Stepas Toliautas and Delianas Palinauskas and Aurimas Vyšniauskas},
  Title = {{Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes}},
  Booktitle = {{14th European conference on Atoms molecules and photons: abstract book}},
  Year = {2022},
  Month = {JUN 27},
  Publisher = {{European Physical Society}},
  Address = {Vilnius},
  Note = {EN},
  }

• K. Maleckaitė, J. Dodonova, S. Toliautas, R. Žilėnaitė, D. Jurgutis, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Red-fluorescent BODIPY microviscosity sensor for intracellular imaging,” in 7th international conference on Bio-sensing technology: abstract list, Sitges, 2022. [EN]
  

  @inproceedings{Maleckaite-BioSensors7,
  Author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Rugilė Žilėnaitė and Džiugas Jurgutis and Vitalijus Karabanovas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Red-fluorescent BODIPY microviscosity sensor for intracellular imaging}},
  Booktitle = {{7th international conference on Bio-sensing technology: abstract list}},
  Year = {2022},
  Month = {MAY 22},
  Publisher = {{Oxford Abstracts}},
  Address = {Sitges},
  Note = {EN},
  Presenter = {Karolina Maleckaitė},
  }

2021

• K. Maleckaitė, J. Dodonova, S. Toliautas, R. Žilėnaitė, D. Jurgutis, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas,” in 44-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga, Vilnius, 2021. [LT]
  

  @inproceedings{Maleckaite-LNFK44,
  Author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Rugilė Žilėnaitė and Džiugas Jurgutis and Vitalijus Karabanovas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas}},
  Booktitle = {{44-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga}},
  Year = {2021},
  Month = {OCT 6},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  Presenter = {Karolina Maleckaitė},
  }

• D. Palinauskas and S. Toliautas, “8-vinil-BODIPY molekulės darinių modeliavimas tankio funkcionalo metodais,” in 44-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga, Vilnius, 2021. [LT] [PDF]
  

  @inproceedings{Palinauskas-LNFK44,
  Author = {Delianas Palinauskas and Stepas Toliautas},
  Title = {{8-vinil-BODIPY molekulės darinių modeliavimas tankio funkcionalo metodais}},
  Booktitle = {{44-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga}},
  Year = {2021},
  Month = {OCT 6},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  Presenter = {Delianas Palinauskas},
  }

2019

• S. Toliautas and A. Vyšniauskas, “Fotocheminės reakcijos kelio skaičiavimai molekulėms su sudėtinga sukimo grupe,” in 43-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga, Vilnius, 2019. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK43,
  Author = {Toliautas, Stepas and Vyšniauskas, Aurimas},
  Title = {{Fotocheminės reakcijos kelio skaičiavimai molekulėms su sudėtinga sukimo grupe}},
  Booktitle = {{43-oji Lietuvos nacionalinė fizikos konferencija: pranešimų medžiaga}},
  Year = {2019},
  Month = {OCT 3},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

2015

• S. Toliautas, S. Malickaja, J. Sulskus, M. Vengris, and L. Valkunas, “Spectral properties of spiro[chromene-2,2′-indole]-based photochromic molecules,” in 16th international conference on Density functional theory and its applications: programme and abstracts, Debrecen, 2015. [EN] [PDF]
  

  @inproceedings{Toliautas-DFT2015,
  Author = {Toliautas, Stepas and Malickaja, Svetlana and Sulskus, Juozas and Vengris, Mikas and Valkunas, Leonas},
  Title = {{Spectral properties of spiro[chromene-2,2'-indole]-based photochromic molecules}},
  Booktitle = {{16th international conference on Density functional theory and its applications: programme and abstracts}},
  Year = {2015},
  Month = {AUG 31},
  Publisher = {{University of Debrecen}},
  Address = {Debrecen},
  Note = {EN},
  Perish = {2016},
  }

• S. Toliautas, S. Malickaja, J. Šulskus, M. Vengris, and L. Valkūnas, “Spiro[chromeno-2,2′-indolo] pagrindu kuriamų fotochrominių molekulių spektrinių savybių modeliavimas,” in 41-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2015. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK41,
  Author = {Toliautas, Stepas and Malickaja, Svetlana and Šulskus, Juozas and Vengris, Mikas and Valkūnas, Leonas},
  Title = {{Spiro[chromeno-2,2'-indolo] pagrindu kuriamų fotochrominių molekulių spektrinių savybių modeliavimas}},
  Booktitle = {{41-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2015},
  Month = {JUN 17},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

• E. Bašinskaitė, V. Butkus, S. Toliautas, and D. Abramavičius, “Vibroninė sąveika teoriniuose chlorofilo a spektruose,” in 41-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2015. [LT]
  

  @inproceedings{Basinskaite-LNFK41,
  Author = {Bašinskaitė, Eglė and Butkus, Vytautas and Toliautas, Stepas and Abramavičius, Darius},
  Title = {{Vibroninė sąveika teoriniuose chlorofilo a spektruose}},
  Booktitle = {{41-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2015},
  Month = {JUN 17},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  Perish = {2015},
  Presenter = {Bašinskaitė, Eglė},
  }

• S. Toliautas, S. Malickaja, J. Sulskus, M. Vengris, and L. Valkunas, “Spectral properties of spiro[chromene-2,2′-indolo]-based photochromic molecules,” in Modeling photoactive molecules (MPM) conference in Nantes: programme and abstracts, Nantes, 2015. [EN] [PDF]
  

  @inproceedings{Toliautas-MPM,
  Author = {Toliautas, Stepas and Malickaja, Svetlana and Sulskus, Juozas and Vengris, Mikas and Valkunas, Leonas},
  Title = {{Spectral properties of spiro[chromene-2,2'-indolo]-based photochromic molecules}},
  Booktitle = {{Modeling photoactive molecules (MPM) conference in Nantes: programme and abstracts}},
  Year = {2015},
  Month = {APR 21},
  Publisher = {{Université de Nantes}},
  Address = {Nantes},
  Note = {EN},
  }

2014

• A. Kadashchuk, S. Toliautas, J. Sulskus, R. Augulis, V. Gulbinas, S. Nespurek, and L. Valkunas, “Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer,” in 13th international conference on Electrical and related properties of organic solids: book of abstracts, Świeradów Zdrój, 2014. [EN]
  

  @inproceedings{Kadashchuk-ERPOS2014,
  Author = {Kadashchuk, Andrey and Toliautas, Stepas and Sulskus, Juozas and Augulis, Ramunas and Gulbinas, Vidmantas and Nespurek, Stanislav and Valkunas, Leonas},
  Title = {{Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer}},
  Booktitle = {{13th international conference on Electrical and related properties of organic solids: book of abstracts}},
  Year = {2014},
  Month = {JUL 6},
  Publisher = {{Wrocław University of Technology}},
  Address = {Świeradów Zdrój},
  Note = {EN},
  Presenter = {Kadashchuk, Andrey}
  }

• S. Toliautas, J. Sulskus, A. Kadashchuk, Y. Skryshevski, A. Vakhnin, R. Augulis, V. Gulbinas, S. Nespurek, J. Genoe, and L. Valkunas, “Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer,” in 11th Nordic femtochemistry conference: book of abstracts, Vilnius, 2014. [EN] [PDF]
  

  @inproceedings{Toliautas-NPh11,
  Author = {Toliautas, Stepas and Sulskus, Juozas and Kadashchuk, Andrey and Skryshevski, Yuri and Vakhnin, Alexandr and Augulis, Ramunas and Gulbinas, Vidmantas and Nespurek, Stanislav and Genoe, Jan and Valkunas, Leonas},
  Title = {{Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer}},
  Booktitle = {{11th Nordic femtochemistry conference: book of abstracts}},
  Year = {2014},
  Month = {MAY 26},
  Publisher = {{Center for Physical Sciences and Technology}},
  Address = {Vilnius},
  Note = {EN},
  }

2013

• A. Kadashchuk, Y. Skryshevski, S. Toliautas, J. Sulskus, L. Valkunas, and S. Nespurek, “Highly efficient intrinsic phosphorescence from a sigma-conjugated polysilane polymer,” in Baltic polymer symposium 2013: programme, Trakai, 2013. [EN]
  

  @inproceedings{Kadashchuk-BPS2013,
  Author = {Kadashchuk, Andrey and Skryshevski, Yuri and Toliautas, Stepas and Sulskus, Juozas and Valkunas, Leonas and Nespurek, Stanislav},
  Title = {{Highly efficient intrinsic phosphorescence from a sigma-conjugated polysilane polymer}},
  Booktitle = {{Baltic polymer symposium 2013: programme}},
  Year = {2013},
  Month = {SEP 18},
  Publisher = {{Vilnius University}},
  Address = {Trakai},
  Note = {EN},
  Presenter = {Kadashchuk, Andrey},
  }

• S. Toliautas, R. Tolyte, O. Rancova, J. Sulskus, and D. Abramavicius, “Effects of histidine ligand on the optical properties of bacteriochlorophyll in LH2,” in Gordon research conference on Time-dependent density-functional theory: program and poster list, Biddeford, ME, 2013. [EN] [PDF]
  

  @inproceedings{Toliautas-GRC13,
  Author = {Toliautas, Stepas and Tolyte, Ruta and Rancova, Olga and Sulskus, Juozas and Abramavicius, Darius},
  Title = {{Effects of histidine ligand on the optical properties of bacteriochlorophyll in LH2}},
  Booktitle = {{Gordon research conference on Time-dependent density-functional theory: program and poster list}},
  Year = {2013},
  Month = {AUG 11},
  Publisher = {{Gordon Research Conferences}},
  Address = {Biddeford, ME},
  Note = {EN},
  Perish = {2013},
  }

• S. Toliautas, M. Mačernis, J. Šulskus, and L. Valkūnas, “Tirpiklio poveikis fotoindukuotai protono pernašai 2-(N-metil-alfa-iminoetil)-fenolio molekulėje,” in 40-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2013. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK40,
  Author = {Toliautas, Stepas and Mačernis, Mindaugas and Šulskus, Juozas and Valkūnas, Leonas},
  Title = {{Tirpiklio poveikis fotoindukuotai protono pernašai 2-(N-metil-alfa-iminoetil)-fenolio molekulėje}},
  Booktitle = {{40-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2013},
  Month = {JUN 10},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

2012

• S. Toliautas, “Potential energy surface analysis of photochromic compound based on quantum-chemical computation,” in 2nd Vilnius workshop on Non-linear spectroscopy and open quantum systems: abstract book, Vilnius, 2012. [EN]
  

  @inproceedings{Toliautas-VW2012,
  Author = {Toliautas, Stepas},
  Title = {{Potential energy surface analysis of photochromic compound based on quantum-chemical computation}},
  Booktitle = {{2nd Vilnius workshop on Non-linear spectroscopy and open quantum systems: abstract book}},
  Year = {2012},
  Month = {OCT 23},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

• S. Toliautas, J. Sulskus, K. Kazlauskas, S. Jursenas, V. Getautis, and L. Valkunas, “Modelling of excited-state properties of novel phosphorescent iridium complexes,” in 9th international conference on Nanosciences & nanotechnologies: abstract book, Thessaloniki, 2012. [EN] [PDF]
  

  @inproceedings{Toliautas-NN12,
  Author = {Toliautas, Stepas and Sulskus, Juozas and Kazlauskas, Karolis and Jursenas, Saulius and Getautis, Vytautas and Valkunas, Leonas},
  Title = {{Modelling of excited-state properties of novel phosphorescent iridium complexes}},
  Booktitle = {{9th international conference on Nanosciences & nanotechnologies: abstract book}},
  Year = {2012},
  Month = {JUL 3},
  Publisher = {{Nanotexnology}},
  Address = {Thessaloniki},
  Note = {EN},
  }

2011

• S. Toliautas, J. Šulskus, and L. Valkūnas, “Modelling of structural and excitation properties of novel light-sensitive organic complexes,” in Vilnius workshop on Non-linear spectroscopy and open quantum systems: abstract book, Vilnius, 2011. [EN]
  

  @inproceedings{Toliautas-VW2011,
  Author = {Toliautas, Stepas and Šulskus, Juozas and Valkūnas, Leonas},
  Title = {{Modelling of structural and excitation properties of novel light-sensitive organic complexes}},
  Booktitle = {{Vilnius workshop on Non-linear spectroscopy and open quantum systems: abstract book}},
  Year = {2011},
  Month = {NOV 7},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

• S. Toliautas, J. Šulskus, and L. Valkūnas, “Benzoksazino junginio potencinės energijos paviršiai šviesa indukuoto sužadinimo metu,” in 39-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2011. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK39,
  Author = {Toliautas, Stepas and Šulskus, Juozas and Valkūnas, Leonas},
  Title = {{Benzoksazino junginio potencinės energijos paviršiai šviesa indukuoto sužadinimo metu}},
  Booktitle = {{39-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2011},
  Month = {OCT 6},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

• S. Toliautas, J. Šulskus, K. Kazlauskas, S. Juršėnas, V. Getautis, and L. Valkūnas, “Quantum-chemical calculations of novel phosphorescent iridium complexes,” in 12th international conference on Electronic and related properties of organic systems: book of abstracts, Vilnius, 2011. [EN] [PDF]
  

  @inproceedings{Toliautas-ERPOS12_2,
  Author = {Toliautas, Stepas and Šulskus, Juozas and Kazlauskas, Karolis and Juršėnas, Saulius and Getautis, Vytautas and Valkūnas, Leonas},
  Title = {{Quantum-chemical calculations of novel phosphorescent iridium complexes}},
  Booktitle = {{12th international conference on Electronic and related properties of organic systems: book of abstracts}},
  Year = {2011},
  Month = {JUL 11},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

• S. Toliautas, J. Šulskus, M. Mačernis, M. Vengris, and L. Valkūnas, “Modelling of photochromic properties of benzoxazine compound by means of quantum chemical methods,” in 12th international conference on Electronic and related properties of organic systems: book of abstracts, Vilnius, 2011. [EN] [PDF]
  

  @inproceedings{Toliautas-ERPOS12_1,
  Author = {Toliautas, Stepas and Šulskus, Juozas and Mačernis, Mindaugas and Vengris, Mikas and Valkūnas, Leonas},
  Title = {{Modelling of photochromic properties of benzoxazine compound by means of quantum chemical methods}},
  Booktitle = {{12th international conference on Electronic and related properties of organic systems: book of abstracts}},
  Year = {2011},
  Month = {JUL 11},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

2009

• S. Toliautas, J. Šulskus, L. Valkūnas, and M. Vengris, “Fotochrominių junginių modeliavimas kvantinės chemijos metodais,” in 38-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2009. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK38,
  Author = {Toliautas, Stepas and Šulskus, Juozas and Valkūnas, Leonas and Vengris, Mikas},
  Title = {{Fotochrominių junginių modeliavimas kvantinės chemijos metodais}},
  Booktitle = {{38-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2009},
  Month = {JUN 8},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

2007

• S. Toliautas and J. Strelcova, “Simetrijos įtaka grafeno energijos spektro pokyčiams,” in 37-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės, Vilnius, 2007. [LT] [PDF]
  

  @inproceedings{Toliautas-LNFK37,
  Author = {Toliautas, Stepas and Strelcova, Jelena},
  Title = {{Simetrijos įtaka grafeno energijos spektro pokyčiams}},
  Booktitle = {{37-oji Lietuvos nacionalinė fizikos konferencija: programa ir pranešimų tezės}},
  Year = {2007},
  Month = {JUN 11},
  Publisher = {{Lietuvos fizikų draugija}},
  Address = {Vilnius},
  Note = {LT},
  }

2022

• D. Palinauskas, “Angliavandenilio sukimo grupės įtaka BODIPY rotoriaus elektroninėms savybėms,” master’s thesis, Vilniaus universitetas, Vilnius, 2022. [LT]
  

  @mastersthesis{Palinauskas-MS2022,
  Author = {Delianas Palinauskas},
  Title = {{Angliavandenilio sukimo grupės įtaka BODIPY rotoriaus elektroninėms savybėms}},
  School = {Vilniaus universitetas},
  Year = {2022},
  Address = {Vilnius},
  Note = {LT},
  }

• D. Narkevičius, “Tirpiklio poliškumo įtaka BODIPY klasės fluoroforų fotofizikiniams parametrams,” bachelor’s thesis, Vilniaus universitetas, Vilnius, 2022. [LT]
  

  @bachelorsthesis{Narkevicius-BA2022,
  Author = {Domantas Narkevičius},
  Title = {{Tirpiklio poliškumo įtaka BODIPY klasės fluoroforų fotofizikiniams parametrams}},
  School = {Vilniaus universitetas},
  Year = {2022},
  Address = {Vilnius},
  Note = {LT},
  }

• –, “Tirpiklio sąveikos su fotoaktyvia molekule įskaitymas naudojant mišrų supermolekulinį–kontinuumo modelį,” bachelor’s thesis, Vilniaus universitetas, Vilnius, 2022. [LT]
  

  @bachelorsthesis{anonymous-BA2022,
  Author = {--},
  Title = {{Tirpiklio sąveikos su fotoaktyvia molekule įskaitymas naudojant mišrų supermolekulinį–kontinuumo modelį}},
  School = {Vilniaus universitetas},
  Year = {2022},
  Address = {Vilnius},
  Note = {LT},
  }

• K. Maleckaitė, D. Narkevičius, R. Žilėnaitė, J. Dodonova-Vaitkūnienė, S. Toliautas, S. Tumkevičius, and A. Vyšniauskas, “The impact of electron-donating/-withdrawing groups on red-fluorescent BODIPY molecular rotor,” in Open Readings 2022 (65th scientific conference for students of physics and natural sciences): abstract book, Vilnius, 2022. [EN]
  

  @inproceedings{Maleckaite-OpenReadings2022,
  Author = {Karolina Maleckaitė and Domantas Narkevičius and Rugilė Žilėnaitė
  and Jelena Dodonova-Vaitkūnienė and Stepas Toliautas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{The impact of electron-donating/-withdrawing groups on red-fluorescent BODIPY molecular rotor}},
  Booktitle = {{Open Readings 2022 (65th scientific conference for students of physics and natural sciences): abstract book}},
  Year = {2022},
  Month = {MAR 15},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

2021

• K. Maleckaitė, J. Dodonova, S. Toliautas, R. Žilėnaitė, D. Narkevičius, D. Jurgutis, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Raudonai fluorescuojantys, aplinkai jautrūs BODIPY fluoroforai,” in 11-oji Fizinių ir technologijos mokslų centro doktorantų ir jaunųjų mokslininkų konferencija: tezių rinkinys, Vilnius, 2021. [LT]
  

  @inproceedings{Maleckaite-FizTech2021,
  Author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Rugilė Žilėnaitė and Domantas Narkevičius and Džiugas Jurgutis
  and Vitalijus Karabanovas and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Raudonai fluorescuojantys, aplinkai jautrūs BODIPY fluoroforai}},
  Booktitle = {{11-oji Fizinių ir technologijos mokslų centro doktorantų ir jaunųjų mokslininkų konferencija: tezių rinkinys}},
  Year = {2021},
  Month = {OCT 20},
  Publisher = {{Fizinių ir technologijos mokslų centras}},
  Address = {Vilnius},
  Note = {LT},
  }

• D. Janonis, “M51 galaktikos spiečių tyrimas konvoliuciniais neuroniniais tinklais,” master’s thesis, Vilniaus universitetas, Vilnius, 2021. [LT] [PDF]
  

  @mastersthesis{Janonis-MS2021,
  Author = {Dalius Janonis},
  Title = {{M51 galaktikos spiečių tyrimas konvoliuciniais neuroniniais tinklais}},
  School = {Vilniaus universitetas},
  Year = {2021},
  Address = {Vilnius},
  Note = {LT},
  }

• K. Maleckaitė, J. Dodonova, S. Toliautas, R. Žilėnaitė, D. Jurgutis, V. Karabanovas, S. Tumkevičius, and A. Vyšniauskas, “Designing a viscosity-sensitive BODIPY fluorophore for a live cell imaging,” in Open Readings 2021 (64th scientific conference for students of physics and natural sciences): abstract book, Vilnius, 2021. [EN]
  

  @inproceedings{Maleckaite-OpenReadings2021,
  Author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Rugilė Žilėnaitė and Džiugas Jurgutis and Vitalijus Karabanovas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Designing a viscosity-sensitive BODIPY fluorophore for a live cell imaging}},
  Booktitle = {{Open Readings 2021 (64th scientific conference for students of physics and natural sciences): abstract book}},
  Year = {2021},
  Month = {MAR 16},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

2020

• K. Maleckaitė, J. Dodonova, S. Toliautas, S. Tumkevičius, and A. Vyšniauskas, “Raudonai fluorescuojančių BODIPY klampos jutiklių fotofizikinės savybės,” in 10-oji Fizinių ir technologijos mokslų centro doktorantų ir jaunųjų mokslininkų konferencija: tezių rinkinys, Vilnius, 2020. [LT]
  

  @inproceedings{Maleckaite-FizTech2020,
  Author = {Karolina Maleckaitė and Jelena Dodonova and Stepas Toliautas
  and Sigitas Tumkevičius and Aurimas Vyšniauskas},
  Title = {{Raudonai fluorescuojančių BODIPY klampos jutiklių fotofizikinės savybės}},
  Booktitle = {{10-oji Fizinių ir technologijos mokslų centro doktorantų ir jaunųjų mokslininkų konferencija: tezių rinkinys}},
  Year = {2020},
  Month = {OCT 22},
  Publisher = {{Fizinių ir technologijos mokslų centras}},
  Address = {Vilnius},
  Note = {LT},
  }

• D. Liupševičius, “Lazerio pluošto plėstuvo parametrų valdymas dirbtiniu neuroniniu tinklu,” master’s thesis, Vilniaus universitetas, Vilnius, 2020. [LT] [PDF]
  

  @mastersthesis{Liupsevicius-MS2020,
  Author = {Liupševičius, Donatas},
  Title = {{Lazerio pluošto plėstuvo parametrų valdymas dirbtiniu neuroniniu tinklu}},
  School = {Vilniaus universitetas},
  Year = {2020},
  Address = {Vilnius},
  Note = {LT},
  }

2016

• M. Grybauskas, “Kvantinių reiškinių įtaka molekulės sąveikai su hidrataciniu apvalkalu,” bachelor’s thesis, Vilniaus universitetas, Vilnius, 2016. [LT] [PDF]
  

  @bachelorsthesis{Grybauskas-BA2016,
  Author = {Grybauskas, Martynas},
  Title = {{Kvantinių reiškinių įtaka molekulės sąveikai su hidrataciniu apvalkalu}},
  School = {Vilniaus universitetas},
  Year = {2016},
  Address = {Vilnius},
  Note = {LT},
  }

2014

• J. Narkeliūnas, J. Chmeliov, and S. Toliautas, “Modelling electronic density of states in carbon nanotubes,” in Open Readings 2014 (57th scientific conference for students of physics and natural sciences): programme and abstracts, Vilnius, 2014. [EN]
  

  @inproceedings{Narkeliunas-OpenReadings2014,
  Author = {Narkeliūnas, Jonas and Chmeliov, Jevgenij and Toliautas, Stepas},
  Title = {{Modelling electronic density of states in carbon nanotubes}},
  Booktitle = {{Open Readings 2014 (57th scientific conference for students of physics and natural sciences): programme and abstracts}},
  Year = {2014},
  Month = {MAR 19},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

2013

• K. Plaušinaitis, “Stipriojo ryšio artinių palyginimas, modeliuojant anglies vamzdelių energijos spektrus,” bachelor’s thesis, Vilniaus universitetas, Vilnius, 2013. [LT] [PDF]
  

  @bachelorsthesis{Plausinaitis-BA2013,
  Author = {Plaušinaitis, Kristijonas},
  Title = {{Stipriojo ryšio artinių palyginimas, modeliuojant anglies vamzdelių energijos spektrus}},
  School = {Vilniaus universitetas},
  Year = {2013},
  Address = {Vilnius},
  Note = {LT},
  }

• R. Tolytė, J. Šulskus, and S. Toliautas, “Simulation of environmental influence on electronic spectra of bacteriochlorophyll molecules by FMO method,” in Open Readings 2013 (56th scientific conference for young students of physics and natural sciences): programme and abstracts, Vilnius, 2013. [EN]
  

  @inproceedings{Tolyte-OpenReadings2013,
  Author = {Tolytė, Rūta and Šulskus, Juozas and Toliautas, Stepas},
  Title = {{Simulation of environmental influence on electronic spectra of bacteriochlorophyll molecules by FMO method}},
  Booktitle = {{Open Readings 2013 (56th scientific conference for young students of physics and natural sciences): programme and abstracts}},
  Year = {2013},
  Month = {MAR 20},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

• V. Gerasimov, J. Šulskus, and S. Toliautas, “Investigation of photo-excitation processes in organic complexes with iridium using quantum chemical methods,” in Open Readings 2013 (56th scientific conference for young students of physics and natural sciences): programme and abstracts, Vilnius, 2013. [EN]
  

  @inproceedings{Gerasimov-OpenReadings2013,
  Author = {Gerasimov, Vadim and Šulskus, Juozas and Toliautas, Stepas},
  Title = {{Investigation of photo-excitation processes in organic complexes with iridium using quantum chemical methods}},
  Booktitle = {{Open Readings 2013 (56th scientific conference for young students of physics and natural sciences): programme and abstracts}},
  Year = {2013},
  Month = {MAR 20},
  Publisher = {{Vilnius University}},
  Address = {Vilnius},
  Note = {EN},
  }

• S. Toliautas (2014). Elektroninio sužadinimo procesai fotoaktyviose organinėse molekulėse: Doctoral dissertation (in Lithuanian). Vilnius: Vilnius University.
  Open access through eLABa – Lithuanian Academic Electronic Library. [PDF]
• S. Toliautas (2014). Electronic excitation processes of photoactive organic molecules: Summary of doctoral dissertation. Vilnius: Vilnius University.
  Open access through eLABa – Lithuanian Academic Electronic Library. [PDF]
• S. Toliautas (2009). Quantum chemical modelling of photochromic effects: Master’s thesis (in Lithuanian). Vilnius: Vilnius University. [PDF]
• S. Toliautas (2007). Calculation of energy spectra of carbon-based materials using VASP: Bachelor’s thesis (in Lithuanian). Vilnius: Vilnius University. [PDF]
• J. Strelcova, S. Toliautas (2006). Symmetry-breaking effects in bilayer graphene: Project work. Linköping: Linköping University. [PDF]