Interactions between low energy electrons and DNA: a perspective from first-principles simulations

J Kohanoff, M McAllister, GA Tribello… - Journal of Physics …, 2017‏ - iopscience.iop.org
DNA damage caused by irradiation has been studied for many decades. Such studies allow
us to better assess the dangers posed by radiation, and to increase the efficiency of the …

First-principles simulations of biological molecules subjected to ionizing radiation

KA Omar, K Hasnaoui… - Annual Review of Physical …, 2021‏ - annualreviews.org
Ionizing rays cause damage to genomes, proteins, and signaling pathways that normally
regulate cell activity, with harmful consequences such as accelerated aging, tumors, and …

The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate

A de la Lande, S Denisov, M Mostafavi - Physical Chemistry Chemical …, 2021‏ - pubs.rsc.org
The early mechanisms by which ionizing rays damage biological structures by so-called
direct effects are largely elusive. In a recent picosecond pulse radiolysis study of …

A simple approximation to the electron–phonon interaction in population dynamics

CM Bustamante, TN Todorov, CG Sánchez… - The Journal of …, 2020‏ - pubs.aip.org
The modeling of coupled electron–ion dynamics including a quantum description of the
nuclear degrees of freedom has remained a costly and technically difficult practice. The …

[کتاب][B] Guidebook to Real Time Electron Dynamics: Irradiation Dynamics from Molecules to Nanoclusters

J Kohanoff, PG Reinhard, L Stella, E Suraud - 2024‏ - books.google.com
This practical book presents an overview of the various approaches developed to
understand the dynamics of electronic systems in physics and chemistry. It also illustrates …

[کتاب][B] Real-Time Quantum Dynamics of Electron–Phonon Systems

V Rizzi - 2018‏ - books.google.com
This book develops a methodology for the real-time coupled quantum dynamics of electrons
and phonons in nanostructures, both isolated structures and those open to an environment …

A New Development: ECEID xp

V Rizzi, V Rizzi - Real-Time Quantum Dynamics of Electron–Phonon …, 2018‏ - Springer
This chapter presents a new methodological development that represents an improvement
over ECEID. Through the use of a canonical transformation on the ECEID Hamiltonian, it is …

Inelastic Electron Injection in Water

V Rizzi, V Rizzi - Real-Time Quantum Dynamics of Electron–Phonon …, 2018‏ - Springer
When high-energy radiation penetrates living cells, it ionizes molecules along its path and
can cause cell death by damaging DNA. Radiation events involve a sequence of processes …