PhD students

Dovilė Lengvinaitė

  • Quantum mechanics/molecular dynamics modeling of NMR relaxation

  • Quantum chemical modeling of NMR spectra of ionic liquids and biomolecular compounds


Undergraduate students

Greta Majauskaitė

  • Quantum chemical modeling of aqueous acidities

Žyginta Einorytė

  • Quantum chemical modeling of molecular NMR parameters


Former students

Milda Koreivaitė (2016-2018)

Bachelor thesis: “Modelling temperature dependence of diffusion coefficients in ionic liquids”

Sonata Kvedaravičiūtė (2016-2018)

Bachelor thesis: “Molecular dynamics/quantum mechanics study of NMR properties in binary solutions of ionic liquids and water”

Kristina Ananičienė (2013-2017)

Master thesis: “Quantum chemical modeling of acidity constants of secondary benzenosulfonamides”

Bachelor thesis: “The modeling of structural and dynamical properties of electrolyte solutions and ionic liquids”

Daumantas Petkevičius (2014-2015)

Bachelor thesis: “Quantum chemical modelling of acidity constants in organic molecules”

K. Aidas, K. Lanevskij, R. Kubilius, L. Juška, D. Petkevičius, P. Japertas.
Aqueous acidities of primary benzenesulfonamides: quantum chemical predictions based on density functional theory and SMD.
J. Comp. Chem. 36 (2015), 2158.

Valentinas Čirba (2014-2015)

Bachelor thesis: “Acidity constants of amines: a quantum chemical study”