About me

 

Kęstutis Aidas

Senior researcher, lecturer

 

Dept. of General Physics and Spectroscopy

Faculty of Physics, Vilnius University

E-mail: kestutis.aidas_at_ff.vu.lt
Tel.: (+370) 5 223 4593
Location: room B320 at the NFTMC building, Saulėtekio al. 3, Vilnius

 

Visitors

Prof. Andrés Cedillo

Autonomous Metropolitan University, Mexico City, Mexico

 

Prof. Andrés Cedillo is visiting the Department of General Physics and Spectroscopy from Sept. 1, 2016, to Aug. 31, 2017. His stay is supported by the Lithuanian Ministry of Education and Science. He is located in room B320 at the NFTMC building.

 

Research interests

  • Quantum chemical predictions of acidity constants of drug-like compounds

  • Classical molecular dynamics simulations of liquid phases including ordinary solutions, ionic liquids and biological systems

  • Combined quantum mechanics/molecular mechanics modeling of spectroscopic UV/vis and NMR properties of molecules in solution

  • Quantum mechanics/molecular dynamics modelling of structure, dynamics and NMR properties of imidazolium based ionic liquids

 

Collaborations

  • Dr. Francesca Mocci, University of Cagliari, Sardinia, Italy

    • Computational 17O NMR of peptides in solution

    • Computational quadrupolar NMR of biosystems and ionic liquids

  • Prof. Andrés Cedillo, Autonomous Metropolitan University, Mexico City, Mexico

    • Quantum chemical predictions of acidities in aqueous solution

  • Dr. N. Arul Murugan, Dr. Žilvinas Rinkevičius, and Prof. Hans Ågren, Royal Institute of Technology (KTH), Stockholm, Sweden

    • Spectroscopic properties of optical and NMR probes

  • Dr. Pranas Japertas, Aukštieji algoritmai VšĮ, Vilnius, Lithuania

    • Quantum chemical predictions of acidities in aqueous solution (funded by Research Council of Lithuania)

 

For students

Highly motivated students are invited to work on their bachelor or master thesis in the field of molecular modeling! If interested please come and talk to me.