Density-functional tight-binding: basic concepts and applications to molecules and clusters
F Spiegelman, N Tarrat, J Cuny, L Dontot… - … in physics: X, 2020 - Taylor & Francis
The scope of this article is to present an overview of the Density Functional based Tight
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …
Molecular dynamics simulations for plasma‐surface interactions
Plasma‐surface interactions are in general highly complex due to the interplay of many
concurrent processes. Molecular dynamics simulations provide insight in some of these …
concurrent processes. Molecular dynamics simulations provide insight in some of these …
Low-temperature plasma for biology, hygiene, and medicine: Perspective and roadmap
Plasma, the fourth and most pervasive state of matter in the visible universe, is a fascinating
medium that is connected to the beginning of our universe itself. Man-made plasmas are at …
medium that is connected to the beginning of our universe itself. Man-made plasmas are at …
[HTML][HTML] The 2022 Plasma Roadmap: low temperature plasma science and technology
The 2022 Roadmap is the next update in the series of Plasma Roadmaps published by
Journal of Physics D with the intent to identify important outstanding challenges in the field of …
Journal of Physics D with the intent to identify important outstanding challenges in the field of …
[HTML][HTML] Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments
We report on multi-level atomistic simulations for the interaction of reactive oxygen species
(ROS) with the head groups of the phospholipid bilayer, and the subsequent effect of head …
(ROS) with the head groups of the phospholipid bilayer, and the subsequent effect of head …
[HTML][HTML] Hampering effect of cholesterol on the permeation of reactive oxygen species through phospholipids bilayer: possible explanation for plasma cancer …
In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively
induce cell death in cancer cells has been widely established. This selectivity has been …
induce cell death in cancer cells has been widely established. This selectivity has been …
Modeling of plasmas for biomedicine
NY Babaeva, GV Naidis - Trends in biotechnology, 2018 - cell.com
Studies in plasma medicine, which are currently actively expanding, are of multidisciplinary
character, involving physical, chemical and biological processes. Rapid progress has been …
character, involving physical, chemical and biological processes. Rapid progress has been …
[HTML][HTML] Effects of nitro-oxidative stress on biomolecules: part 1—non-reactive molecular dynamics simulations
Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an
expanding field within plasma research. CAP has demonstrated remarkable versatility in …
expanding field within plasma research. CAP has demonstrated remarkable versatility in …
Numerical study on interactions of atmospheric plasmas and vegetable oils by reactive molecular dynamic simulations
SQ Tian, XL Wang, YT Zhang - Plasma Processes and …, 2021 - Wiley Online Library
Plasma medicine is a rapidly growing multidisciplinary field. Recently, experimental
observations have shown that plasma‐activated oil (PAO) with high reactive activity can …
observations have shown that plasma‐activated oil (PAO) with high reactive activity can …
Molecular dynamics simulation research on the interaction between plasma and living organisms: A comprehensive review
In recent years, plasma biomedicine has developed into a new interdisciplinary subject. The
interaction between plasma and organisms involves three aspects:“gas–liquid–living …
interaction between plasma and organisms involves three aspects:“gas–liquid–living …