Molecular Dynamics Simulations for Plasma-Surface Interactions

Molecular dynamics simulation of gold cluster growth during sputter deposition

(2016) J. W. Abraham et al.   JOURNAL OF APPLIED PHYSICS

eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations

(2016) Md Mahbubul Islam et al.   Journal of Chemical Theory and Computation

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

(2016) Kristof M. Bal et al.   Chemical Science

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

(2016) Jonas Van der Paal et al.   Chemical Science

Enhancing C–H Bond Activation of Methane via Temperature-Controlled, Catalyst–Plasma Interactions

(2016) Jongsik Kim et al.   ACS Energy Letters

Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study

(2015) Lu Xie et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations

(2015) Narjes Khosravian et al.   Biointerphases

Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering

(2015) Pascal Brault et al.   CATALYSIS TODAY

Plasma Catalysis: Synergistic Effects at the Nanoscale

(2015) Erik C. Neyts et al.   CHEMICAL REVIEWS

Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds

(2015) Kristof M. Bal et al.   Journal of Chemical Theory and Computation

Selective Plasma Oxidation of Ultrasmall Si Nanowires

(2015) Umedjon Khalilov et al.   Journal of Physical Chemistry C

Kinetics of Energy Selective Cs Encapsulation in Single-Walled Carbon Nanotubes for Damage-Free and Position-Selective Doping

(2015) Toshiaki Kato et al.   Journal of Physical Chemistry C

Multi-level molecular modelling for plasma medicine

(2015) Annemie Bogaerts et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Structural modification of the skin barrier by OH radicals: a reactive molecular dynamics study for plasma medicine

(2015) J Van der Paal et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field

(2015) C C W Verlackt et al.   NEW JOURNAL OF PHYSICS

Plasma-Surface Interactions in Plasma Catalysis

(2015) Erik C. Neyts   PLASMA CHEMISTRY AND PLASMA PROCESSING

Molecular Dynamics Calculations of CH3Sticking Coefficient onto Diamond Surfaces

(2015) Laurent Schwaederlé et al.   Plasma Processes and Polymers

Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

(2015) Umedjon Khalilov et al.   Nature Communications

How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations

(2015) Narjes Khosravian et al.   Biointerphases

The reason why thin-film silicon grows layer by layer in plasma-enhanced chemical vapor deposition

(2015) Takuya Kuwahara et al.   Scientific Reports

The role of ions in plasma catalytic carbon nanotube growth: A review

(2015) Erik C. Neyts   Frontiers of Chemical Science and Engineering

Interactions of plasma species on nickel catalysts: A reactive molecular dynamics study on the influence of temperature and surface structure

(2014) W. Somers et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

On the time scale associated with Monte Carlo simulations

(2014) Kristof M. Bal et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorine–Silicon Surface Reactions during Cryogenic and Near Room Temperature Etching

(2014) Stefan Tinck et al.   Journal of Physical Chemistry C

Computer simulations of plasma–biomolecule and plasma–tissue interactions for a better insight in plasma medicine

(2014) Erik C Neyts et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Molecular dynamics simulations of clusters and thin film growth in the context of plasma sputtering deposition

(2014) Lu Xie et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Understanding plasma catalysis through modelling and simulation—a review

(2014) E C Neyts et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Plasma cryogenic etching of silicon: from the early days to today's advanced technologies

(2014) R Dussart et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Plasma enhanced growth of single walled carbon nanotubes at low temperature: A reactive molecular dynamics simulation

(2013) M. Shariat et al.   CARBON

Temperature influence on the reactivity of plasma species on a nickel catalyst surface: An atomic scale study

(2013) W. Somers et al.   CATALYSIS TODAY

On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition

(2013) M. Shariat et al.   CHEMICAL PHYSICS LETTERS

New Mechanism for Oxidation of Native Silicon Oxide

(2013) U. Khalilov et al.   Journal of Physical Chemistry C

Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

(2013) Maksudbek Yusupov et al.   Journal of Physical Chemistry C

Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine

(2013) M Yusupov et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

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

(2013) Jonas Van der Paal et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions

(2013) Erik C. Neyts et al.   Nanoscale

Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

(2013) James A. Elliott et al.   Nanoscale

Irradiation effects in high-density polyethylene

(2013) Jussi Polvi et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Heating and melting of plasma-born hydrogenated silicon clusters by reactions with atomic hydrogen

(2013) Ha-Linh Thi Le et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

Physics of nanoporation and water entry driven by a high-intensity, ultrashort electrical pulse in the presence of membrane hydrophobic interactions

(2013) Q. Hu et al.   PHYSICAL REVIEW E

Defect Healing and Enhanced Nucleation of Carbon Nanotubes by Low-Energy Ion Bombardment

(2013) E. C. Neyts et al.   PHYSICAL REVIEW LETTERS

Carbon Nanotubes: Present and Future Commercial Applications

(2013) M. F. L. De Volder et al.   SCIENCE

Self-Limiting Oxidation in Small-Diameter Si Nanowires

(2012) U. Khalilov et al.   CHEMISTRY OF MATERIALS

Hyperthermal Oxidation of Si(100)2×1 Surfaces: Effect of Growth Temperature

(2012) U. Khalilov et al.   Journal of Physical Chemistry C

On the c-Si|a-SiO2 Interface in Hyperthermal Si Oxidation at Room Temperature

(2012) U. Khalilov et al.   Journal of Physical Chemistry C

Plasma Species Interacting with Nickel Surfaces: Toward an Atomic Scale Understanding of Plasma-Catalysis

(2012) W. Somers et al.   Journal of Physical Chemistry C

Ion activation energy delivered to wounds by atmospheric pressure dielectric-barrier discharges: sputtering of lipid-like surfaces

(2012) Natalia Yu Babaeva et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Contributions of the embedded-atom method to materials science and engineering

(2012) Stephen M. Foiles et al.   MRS BULLETIN

Variable charge many-body interatomic potentials

(2012) Yun Kyung Shin et al.   MRS BULLETIN

Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires

(2012) Umedjon Khalilov et al.   Nanoscale

Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls

(2012) M Yusupov et al.   NEW JOURNAL OF PHYSICS

Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion

(2012) Maarten J. Mees et al.   PHYSICAL REVIEW B

Combining molecular dynamics with Monte Carlo simulations: implementations and applications

(2012) Erik C. Neyts et al.   THEORETICAL CHEMISTRY ACCOUNTS

The influence of target surface morphology on the deposition flux during direct-current magnetron sputtering

(2012) F. Boydens et al.   THIN SOLID FILMS

Reactive Molecular Dynamics Study on the First Steps of DNA Damage by Free Hydroxyl Radicals

(2011) Ramin M. Abolfath et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hyperthermal Oxygen Interacting with Silicon Surfaces: Adsorption, Implantation, and Damage Creation

(2011) E. C. Neyts et al.   Journal of Physical Chemistry C

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

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electron-Transfer Reactions at the Plasma–Liquid Interface

(2011) Carolyn Richmonds et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm

(2011) F. Djurabekova et al.   PHYSICAL REVIEW E

Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations

(2010) Erik C. Neyts et al.   ACS Nano

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

(2010) Erik Neyts et al.   CARBON

Molecular dynamics simulations of the sputtering process of silicon and the homoepitaxial growth of a Si coating on silicon

(2010) A.-P. Prskalo et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2010) F. Gou et al.   JOURNAL OF APPLIED PHYSICS

Large-scale, long-term nonadiabatic electron molecular dynamics for describing material properties and phenomena in extreme environments

(2010) Andres Jaramillo-Botero et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nanotube nucleation versus carbon-catalyst adhesion–Probed by molecular dynamics simulations

(2009) Morgana A. Ribas et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics for low temperature plasma–surface interaction studies

(2009) David B Graves et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Plasma medicine: an introductory review

(2009) M G Kong et al.   NEW JOURNAL OF PHYSICS

Formation of endohedral Ni@C60 and exohedral Ni–C60 metallofullerene complexes by simulated ion implantation

(2008) Erik C. Neyts et al.   CARBON

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

(2008) Maxie Eckert et al.   CHEMICAL VAPOR DEPOSITION

On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation

(2008) M Eckert et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Molecular dynamics simulation of microcrystalline Si deposition processes by silane plasmas

(2007) Masaaki Matsukuma et al.   THIN SOLID FILMS