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List of works by Erik C. Neyts

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Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress

scientific article
Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations

scientific article published on 12 October 2010
Gas discharge plasmas and their applications

Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

article
Plasma Catalysis: Synergistic Effects at the Nanoscale.

scientific article
A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma.

scientific article
Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field

scientific article published on 13 December 2011
Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

scientific article
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity

scientific article
Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes.

scientific article published on 27 January 2017
Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments

scientific article published on 18 July 2017
Size-dependent strain and surface energies of gold nanoclusters

scientific article published on 2 December 2015
Defect Healing and Enhanced Nucleation of Carbon Nanotubes by Low-Energy Ion Bombardment

scientific article published in Physical Review Letters
Establishing Uniform Acceptance in Force Biased Monte Carlo Simulations

scientific article published on 22 May 2012
Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions

scientific article published on 22 May 2013
Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

scientific article published on December 22, 2015
Merging metadynamics into hyperdynamics: accelerated molecular simulations reaching time scales from microseconds to seconds.

scientific article published in October 2015
Computer simulations of plasma–biomolecule and plasma–tissue interactions for a better insight in plasma medicine

Molecular Dynamics Simulations of the Sticking and Etch Behavior of Various Growth Species of (Ultra)Nanocrystalline Diamond Films

article
Thermodynamics at the nanoscale: phase diagrams of nickel–carbon nanoclusters and equilibrium constants for phase transitions

scientific article published on 01 September 2014
Interaction of O and OH radicals with a simple model system for lipids in the skin barrier: a reactive molecular dynamics investigation for plasma medicine

article
Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth: Experimental and theoretical study

article
Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species

article
Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors

scientific article published on 01 August 2014
On the time scale associated with Monte Carlo simulations

scientific article published on November 28, 2014
Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon

scientific article published on 15 December 2016
Correction: Plasma Catalysis: Synergistic Effects at the Nanoscale.

scientific article published on 19 January 2016
Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films

Multi-level molecular modelling for plasma medicine

Bond switching regimes in nickel and nickel–carbon nanoclusters

scholarly article by Erik C. Neyts et al published March 2010 in Chemical Physics Letters
Theoretical Investigation of Grain Size Tuning during Prolonged Bias-Enhanced Nucleation

article
Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

article published in 2011
Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires

scientific article published on 10 December 2012
Insights into the Growth of (Ultra)nanocrystalline Diamond by Combined Molecular Dynamics and Monte Carlo Simulations

Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: A molecular dynamics study

A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation

scholarly article in Carbon, vol. 49 no. 3, March 2011
Study of Atmospheric MOCVD of TiO2Thin Films by Means of Computational Fluid Dynamics Simulations

article
Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: Effect of adding H2 to an Ar discharge

Molecular dynamics simulations of Cl+ etching on a Si(100) surface

article
The effect of hydrogen on the electronic and bonding properties of amorphous carbon

Unraveling the deposition mechanism in a-C:H thin-film growth: A molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces

How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching

scientific article published on 11 January 2017
Modeling adatom surface processes during crystal growth: A new implementation of the Metropolis Monte Carlo algorithm

A first principles study of p-type defects in LaCrO3.

scientific article published on 16 August 2017
Differences between Ultrananocrystalline and Nanocrystalline Diamond Growth: Theoretical Investigation of CxHySpecies at Diamond Step Edges

article by Maxie Eckert et al published September 2010 in Crystal Growth & Design
Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals

article published in 2006
Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations

scientific article published on 05 May 2016
Monte Carlo method for simulations of adsorbed atom diffusion on a surface

article published in 2006
Densification of thin a-C : H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study

Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium

scientific article published on 30 December 2019

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