Liana A. Savintseva

Ph.D. Stu­dent, Depart­ment of Chem­istry, Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod


Junior Researcher of Mol­e­c­u­lar Mod­el­ing and Chemoin­for­mat­ics Lab­o­ra­to­ry

Sci­en­tif­ic inter­ests:

  • Struc­tur­al, ener­gy and elec­tron­ic prop­er­ties of organ­ic semi­con­duc­tors and bio­log­i­cal mol­e­cules par­tic­i­pat­ing in the elec­tron trans­fer process in nature;
  • Mol­e­c­u­lar dynam­ics study of the struc­ture of amor­phous mate­ri­als based on organ­ic and bio­mimet­ic semi­con­duc­tors;
  • Charge trans­fer in organ­ic mate­ri­als, work­ing on the prin­ci­ple of the ner­vous tis­sue of liv­ing organ­isms

 Aca­d­e­m­ic Edu­ca­tion:

2016 – 2021 — Depart­ment of Chem­istry, Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod


Russ­ian (native), Eng­lish (flu­ent)

Work Expe­ri­ence:

  • 2021 – Present: Junior Researcher, the Lab­o­ra­to­ry of Mol­e­c­u­lar Mod­el­ing and Chemoin­for­mat­ics, Lobachevsky State Uni­ver­si­ty of Nizh­ny Nov­gorod

Key Ideas:

It is a known fact that ani­mals brain works by trans­fer­ring infor­ma­tion between great amount of neu­rons via elec­tro­chem­i­cal impuls­es. Here the ques­tion aris­es about the pos­si­bil­i­ty of cre­at­ing an arti­fi­cial mate­r­i­al in which charge trans­port between mol­e­cules would repro­duce the sig­nal trans­mis­sion in the neur­al net­work and, there­fore, would repro­duce the behav­ior of the net­work of neu­rons at the mol­e­c­u­lar lev­el. Such mate­r­i­al, if it was con­sid­ered as a com­put­ing sys­tem (arti­fi­cial neur­al net­work, ANN), would allow achiev­ing a high den­si­ty of com­pu­ta­tion­al ele­ments, their three-dimen­sion­al orga­ni­za­tion and high com­pu­ta­tion­al effi­cien­cy.

To func­tion as an ANN, the mol­e­cules of such mate­r­i­al (referred here­after as a neu­ro­mor­phic mate­r­i­al) must have the fol­low­ing prop­er­ties:

  • high abil­i­ty to inter­mol­e­c­u­lar charge trans­fer;
  • a cer­tain func­tion of the “sum­ma­tion” of sig­nals from dif­fer­ent sources;
  • the abil­i­ty to adapt the posi­tions of inter­mol­e­c­u­lar con­tacts to react to the most impor­tant sig­nals.

Because the mol­e­cules involved in elec­tron trans­fer process­es are known in nature, we con­sid­er known organ­ic and bio­mimet­ic semi­con­duc­tors.

In order to study their abil­i­ty to man­i­fest neu­ro­mor­phic prop­er­ties we use quan­tum chem­i­cal and mol­e­c­u­lar dynam­ics meth­ods. Mol­e­cules are con­sid­ered in terms of “rigid frag­ments” and “con­ju­gat­ed seg­ments”.

The idea of Local Mol­e­c­u­lar Orbitals is used.

Select­ed Pub­li­ca­tions:

  1. Logi­no­va A. S., Sav­int­se­va L. A., Igna­tov S. K. Struc­ture and elec­tron­ic exci­ta­tion spec­tra of low-lying iso­mers of Aun clus­ters (n = 2–20). A DFT study. Com­put. The­or. Chem. 1170. 2019. 112637. doi: 10.1016/j.comptc.2019.112637.

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