Tight-binding modeling of nucleic acid sequences: Interplay between various types of order or disorder and charge transport

K Lambropoulos, C Simserides - Symmetry, 2019 - mdpi.com
This review is devoted to tight-binding (TB) modeling of nucleic acid sequences like DNA
and RNA. It addresses how various types of order (periodic, quasiperiodic, fractal) or …

DNA spintronics: Charge and spin dynamics in DNA wires

S Behnia, S Fathizadeh, A Akhshani - The Journal of Physical …, 2016 - ACS Publications
A combined analytical approach is proposed to investigate the spin-selectivity properties of
DNA nanowires considering the spin degree of freedom in the extended Peyrard–Bishop …

Ultrafast excitonic dynamics in DNA: Bridging correlated quantum dynamics and sequence dependence

D Herb, M Rossini, J Ankerhold - Physical Review E, 2024 - APS
After photoexcitation of DNA, the excited electron (in the LUMO) and the remaining hole (in
the HOMO) localized on the same DNA base form a bound pair, called the Frenkel exciton …

Predicting the DNA conductance using a deep feedforward neural network model

A Aggarwal, V Vinayak, S Bag… - Journal of Chemical …, 2020 - ACS Publications
Double-stranded DNA (dsDNA) has been established as an efficient medium for charge
migration, bringing it to the forefront of the field of molecular electronics and biological …

Periodic, quasiperiodic, fractal, Kolakoski, and random binary polymers: Energy structure and carrier transport

K Lambropoulos, C Simserides - Physical Review E, 2019 - APS
We study periodic, quasiperiodic (Thue-Morse, Fibonacci, period doubling, Rudin-Shapiro),
fractal (Cantor, generalized Cantor), Kolakoski, and random binary sequences using a tight …

Control of a DNA based piezoelectric biosensor

S Fathizadeh, S Behnia - Journal of the Physical Society of Japan, 2020 - journals.jps.jp
The piezoelectric biosensor is small, light-weight, and its implementation and use are low-
cost. Therefore, sensitivity, selectivity, and challenges of a DNA based piezoelectric sensor …

Electronic structure and carrier transfer in B-DNA monomer polymers and dimer polymers: Stationary and time-dependent aspects of a wire model versus an extended …

K Lambropoulos, M Chatzieleftheriou, A Morphis… - Physical Review E, 2016 - APS
We employ two tight-binding (TB) approaches to systematically study the electronic structure
and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of …

Effects of structural dynamics on charge carrier transfer in B-DNA: a combined MD and RT-TDDFT study

M Mantela, A Morphis, K Lambropoulos… - The Journal of …, 2021 - ACS Publications
Hole transfer along the axis of duplex DNA has been the focus of physical chemistry
research for decades, with implications in diverse fields, from nanotechnology to cell …

Electronic structure, absorption spectra and oxidation dynamics in polyynes and dicyanopolyynes

L Chalkopiadis, K Lambropoulos… - Physical Chemistry …, 2024 - pubs.rsc.org
The advent of femtosecond to attosecond experimental tools has made now possible to
study such ultrafast carrier dynamics, eg, the spatial and temporal charge density evolution …

Unbiased charge oscillations in B-DNA: Monomer polymers and dimer polymers

K Lambropoulos, M Chatzieleftheriou, A Morphis… - Physical Review E, 2015 - APS
We call monomer a B-DNA base pair and examine, analytically and numerically, electron or
hole oscillations in monomer and dimer polymers, ie, periodic sequences with repetition unit …