Modeling of electron dynamics and thermodynamics in DNA chains

8 Jul 2016, 09:20
20m
LIT Conference Hall

LIT Conference Hall

Plenary reports 4. Scientific, industry and business applications in distributed computing systems Plenary reports

Speaker

Victor Lakhno (Institute of Mathematical Problems of Biology RAS – the Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences and Acting Head of the Laboratory of Quantum-Mechanical Systems of the IMPB RAS)

Description

The lecture gives a review of numerical experiments on a charge transfer in DNA. The charge motion is described in terms of quantum mechanics, whereas vibrational degreese of fredom are treated both classically and quantum mechanically. Special attention is given to dynamics of polaron state formation, polaron motion in electric field, Bloch oscillations and breather states. The dynamics of charge migration was modeled to calculate temperature dependencies of its thermodynamic equilibrium values such as energy and electronic heat capacity in homogeneous polynucleotide chains. The work was done with partial support from RFBR, project № 16-07-00305 and RSF project № 16-11-10163. References 1. A.P.Chetvericov, W. Ebeling, V. Lakhno, A.S.Shigaev, M.G.Velarde, Eur. Phys. J.B., (2016) 89:101 2. N. Fialko, E.Sobolev, V. Lakhno, Phys. Lett. A, (2016), 380, 1547 3. Lakhno V.D., Fialko N.S. Math. Biol. Bioinf, (2015), 10(2), 562

Primary author

Victor Lakhno (Institute of Mathematical Problems of Biology RAS – the Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences and Acting Head of the Laboratory of Quantum-Mechanical Systems of the IMPB RAS)

Presentation materials