Towards an integrated modeling of the plasma-solid interface

Ion Impact Induced Ultrafast Electron Dynamics in Finite Graphene-Type Hubbard Clusters

(2019) Michael Bonitz et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Molecular dynamics simulation of Ag-Cu cluster growth on a thin polymer film

(2018) J.W. Abraham et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Time-reversal invariance of quantum kinetic equations II: Density operator formalism

(2018) Michael Bonitz et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Plasma based formation and deposition of metal and metal oxide nanoparticles using a gas aggregation source

(2018) Oleksandr Polonskyi et al.   EUROPEAN PHYSICAL JOURNAL D

Formation of polymer-based nanoparticles and nanocomposites by plasma-assisted deposition methods

(2018) Jan Willem Abraham et al.   EUROPEAN PHYSICAL JOURNAL D

The uniform electron gas at warm dense matter conditions

(2018) Tobias Dornheim et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Ion-induced secondary electron emission from metal surfaces

(2018) Mathias Pamperin et al.   PLASMA SOURCES SCIENCE & TECHNOLOGY

Doublon Formation by Ions Impacting a Strongly Correlated Finite Lattice System

(2018) Karsten Balzer et al.   PHYSICAL REVIEW LETTERS

Kinetic modeling of the electronic response of a dielectric plasma-facing solid

(2017) Franz X Bronold et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

The 2017 Plasma Roadmap: Low temperature plasma science and technology

(2017) I Adamovich et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Non-adiabatic effects in elementary reaction processes at metal surfaces

(2017) M. Alducin et al.   PROGRESS IN SURFACE SCIENCE

Ab initio molecular dynamics simulations of the O 2 /Pt(1 1 1) interaction

(2016) Axel Groß   CATALYSIS TODAY

Chemical energy dissipation at surfaces under UHV and high pressure conditions studied using metal–insulator–metal and similar devices

(2016) Detlef Diesing et al.   CHEMICAL SOCIETY REVIEWS

Electronically non-adiabatic influences in surface chemistry and dynamics

(2016) Alec M. Wodtke   CHEMICAL SOCIETY REVIEWS

Nonequilibrium Green Functions Approach to Strongly Correlated Fermions in Lattice Systems

(2016) N. Schlünzen et al.   CONTRIBUTIONS TO PLASMA PHYSICS

First-principles particle simulation and Boltzmann equation analysis of negative differential conductivity and transient negative mobility effects in xenon

(2016) Zoltan Donko et al.   EUROPEAN PHYSICAL JOURNAL D

Electron dynamics with real-time time-dependent density functional theory

(2016) Makenzie R. Provorse et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Molecular dynamics simulation of gold cluster growth during sputter deposition

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

Perspective: Fundamental aspects of time-dependent density functional theory

(2016) Neepa T. Maitra   JOURNAL OF CHEMICAL PHYSICS

Perspective: Kohn-Sham density functional theory descending a staircase

(2016) Haoyu S. Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Core Electrons in Quantum Dynamics Using TDDFT

(2016) Nicolás O. Foglia et al.   Journal of Chemical Theory and Computation

A computationally assisted spectroscopic technique to measure secondary electron emission coefficients in radio frequency plasmas

(2016) M Daksha et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium?

(2016) M. Hopjan et al.   PHYSICAL REVIEW LETTERS

Strongly Emitting Surfaces Unable to Float below Plasma Potential

(2016) M. D. Campanell et al.   PHYSICAL REVIEW LETTERS

Molecular Dynamics Simulations for Plasma-Surface Interactions

(2016) Erik C. Neyts et al.   Plasma Processes and Polymers

3D PIC-MCC simulations of discharge inception around a sharp anode in nitrogen/oxygen mixtures

(2016) Jannis Teunissen et al.   PLASMA SOURCES SCIENCE & TECHNOLOGY

Real-Time Monitoring of Morphology and Optical Properties during Sputter Deposition for Tailoring Metal–Polymer Interfaces

(2015) Matthias Schwartzkopf et al.   ACS Applied Materials & Interfaces

Simulation of nanocolumn formation in a plasma environment

(2015) J. W. Abraham et al.   JOURNAL OF APPLIED PHYSICS

An accurate full-dimensional potential energy surface for H–Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

(2015) Svenja M. Janke et al.   JOURNAL OF CHEMICAL PHYSICS

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

Mixed-valence correlations in charge-transferring atom–surface collisions

(2015) M Pamperin et al.   PHYSICA SCRIPTA

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

(2015) Xavier Andrade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Many-body theory of the neutralization of strontium ions on gold surfaces

(2015) M. Pamperin et al.   PHYSICAL REVIEW B

Accurate atomistic first-principles calculations of electronic stopping

(2015) André Schleife et al.   PHYSICAL REVIEW B

Electronic stopping power in a narrow band gap semiconductor from first principles

(2015) Rafi Ullah et al.   PHYSICAL REVIEW B

Efficient Real-Time Time-Dependent Density Functional Theory Method and its Application to a Collision of an Ion with a 2D Material

(2015) Zhi Wang et al.   PHYSICAL REVIEW LETTERS

Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation

(2015) Simon P. Rittmeyer et al.   PHYSICAL REVIEW LETTERS

Absorption of an Electron by a Dielectric Wall

(2015) F. X. Bronold et al.   PHYSICAL REVIEW LETTERS

H+ (D+, T+)–beryllium collisions studied using time-dependent density functional theory

(2015) Shijun Zhao et al.   PHYSICS LETTERS A

Effects of fast atoms and energy-dependent secondary electron emission yields in PIC/MCC simulations of capacitively coupled plasmas

(2015) A Derzsi et al.   PLASMA SOURCES SCIENCE & TECHNOLOGY

Note: Ion-induced secondary electron emission from oxidized metal surfaces measured in a particle beam reactor

(2015) Adrian Marcak et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption

(2015) O. Bunermann et al.   SCIENCE

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

(2014) Geert-Jan Kroes et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Comparison of electronic energy loss in graphene and BN sheet by means of time-dependent density functional theory

(2014) Shijun Zhao et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ultrafast dynamics of finite Hubbard clusters: A stochastic mean-field approach

(2014) Denis Lacroix et al.   PHYSICAL REVIEW B

Importance of considering helium excited states inHe+scattering by an aluminum surface

(2014) A. Iglesias-García et al.   PHYSICAL REVIEW B

Electronic stopping power from first-principles calculations with account for core electron excitations and projectile ionization

(2014) Ari Ojanperä et al.   PHYSICAL REVIEW B

Electronic Energy Dissipation During Scattering of Vibrationally Excited Molecules at Metal Surfaces:Ab initioSimulations forHCl/Al(111)

(2014) Michael Grotemeyer et al.   PHYSICAL REVIEW LETTERS

Auger neutralization and ionization processes for charge exchange between slow noble gas atoms and solid surfaces

(2014) R. Carmina Monreal   PROGRESS IN SURFACE SCIENCE

Second generation Car-Parrinello molecular dynamics

(2014) Thomas D. Kühne   Wiley Interdisciplinary Reviews-Computational Molecular Science

Plasma nanoscience: from nano-solids in plasmas to nano-plasmas in solids

(2013) K. Ostrikov et al.   ADVANCES IN PHYSICS

Using field emission to control the electron energy distribution in high-pressure microdischarges at microscale dimensions

(2013) Yingjie Li et al.   APPLIED PHYSICS LETTERS

A Brief Compendium of Time-Dependent Density Functional Theory

(2013) Carsten A. Ullrich et al.   BRAZILIAN JOURNAL OF PHYSICS

Plasma Science and Technology in the Limit of the Small: Microcavity Plasmas and Emerging Applications

(2013) J. G. Eden et al.   IEEE TRANSACTIONS ON PLASMA SCIENCE

Role of He excited configurations in the neutralization of He+ions colliding with a HOPG surface

(2013) A. Iglesias-García et al.   PHYSICAL REVIEW B

Foundations of stochastic time-dependent current-density functional theory for open quantum systems: Potential pitfalls and rigorous results

(2013) Roberto D’Agosta et al.   PHYSICAL REVIEW B

Kinetic Theory of Plasma Sheaths Surrounding Electron-Emitting Surfaces

(2013) J. P. Sheehan et al.   PHYSICAL REVIEW LETTERS

Sheaths in laboratory and space plasmas

(2013) Scott Robertson   PLASMA PHYSICS AND CONTROLLED FUSION

Atomic-level description of ubiquitin folding

(2013) S. Piana et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Towards a Particle Based Simulation of Complex Plasma Driven Nanocomposite Formation

(2012) M. Bonitz et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Resonant charge transfer at dielectric surfaces

(2012) J. Marbach et al.   EUROPEAN PHYSICAL JOURNAL D

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

(2012) Jiří Klimeš et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective on density functional theory

(2012) Kieron Burke   JOURNAL OF CHEMICAL PHYSICS

Study of dc micro-discharge arrays made in silicon using CMOS compatible technology

(2012) M K Kulsreshath et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Simulation of high-energy ion collisions with graphene fragments

(2012) Sergiy Bubin et al.   PHYSICAL REVIEW B

Pseudoparticle approach for charge-transferring molecule-surface collisions

(2012) Johannes Marbach et al.   PHYSICAL REVIEW B

Electron surface layer at the interface of a plasma and a dielectric wall

(2012) R. L. Heinisch et al.   PHYSICAL REVIEW B

Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage

(2012) Alfredo A. Correa et al.   PHYSICAL REVIEW LETTERS

Electronic Stopping Power in Gold: The Role ofdElectrons and theH/HeAnomaly

(2012) M. Ahsan Zeb et al.   PHYSICAL REVIEW LETTERS

Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

(2011) A. Castro et al.   CHEMICAL PHYSICS

Control of the Interface Between Electron-Hole and Electron-Ion Plasmas: Hybrid Semiconductor-Gas Phase Devices as a Gateway for Plasma Science

(2011) P. A. Tchertchian et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Plasma nanotechnology: past, present and future

(2011) M Meyyappan   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Diffusion in a Strongly Coupled Magnetized Plasma

(2011) T. Ott et al.   PHYSICAL REVIEW LETTERS

Car-Parrinello molecular dynamics

(2011) Jürg Hutter   Wiley Interdisciplinary Reviews-Computational Molecular Science

Integrated micro-plasmas in silicon operating in helium

(2010) R. Dussart et al.   EUROPEAN PHYSICAL JOURNAL D

Boundary conditions for the electron kinetic equation using expansion techniques

(2010) M. M. Becker et al.   EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS

Accuracy of perturbation theory for nonadiabatic effects in adsorbate-surface dynamics

(2010) M. S. Mizielinski et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetic excitation of metallic solids: Progress towards a microscopic model

(2010) A. Wucher et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Time-dependent second-order Born calculations for model atoms and molecules in strong laser fields

(2010) K. Balzer et al.   PHYSICAL REVIEW A

Efficient grid-based method in nonequilibrium Green’s function calculations: Application to model atoms and molecules

(2010) K. Balzer et al.   PHYSICAL REVIEW A

Diffusion of 1,4-butanedithiol onAu(100)−(1×1): A DFT-based master-equation approach

(2010) A. Franke et al.   PHYSICAL REVIEW B

Role of electronic friction during the scattering of vibrationally excited nitric oxide molecules from Au(111)

(2010) Serge Monturet et al.   PHYSICAL REVIEW B

The treatment of electronic excitations in atomistic models of radiation damage in metals

(2010) C P Race et al.   REPORTS ON PROGRESS IN PHYSICS

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

(2009) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

From electron depletion to quasi-neutrality: the sheath–bulk transition in RF modulated discharges

(2009) Ralf Peter Brinkmann   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Molecular dynamics for low temperature plasma–surface interaction studies

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

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nonequilibrium Green’s function approach to strongly correlated few-electron quantum dots

(2009) K. Balzer et al.   PHYSICAL REVIEW B

Electronic stopping of low-energy H and He in Cu and Au investigated by time-of-flight low-energy ion scattering

(2009) S. N. Markin et al.   PHYSICAL REVIEW B

Electron-hole spectra created by adsorption on metals from density functional theory

(2009) Matthias Timmer et al.   PHYSICAL REVIEW B

Breakdown of a Space Charge Limited Regime of a Sheath in a Weakly Collisional Plasma Bounded by Walls with Secondary Electron Emission

(2009) D. Sydorenko et al.   PHYSICAL REVIEW LETTERS

De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers

(2008) Aiichiro Nakano et al.   INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Optical properties of graphene nanoribbons: The role of many-body effects

(2008) Deborah Prezzi et al.   PHYSICAL REVIEW B

Reaction dynamics of H2 on Si. Ab initio supported model calculations

(2008) Wilhelm Brenig et al.   PROGRESS IN SURFACE SCIENCE

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS

Electronic excitation in atomic adsorption on metals: A comparison of ab initio and model calculations

(2008) D.M. Bird et al.   SURFACE SCIENCE

Newns–Anderson model of chemicurrents in H/Cu and H/Ag

(2008) M.S. Mizielinski et al.   SURFACE SCIENCE