Accurate atomistic first-principles calculations of electronic stopping

Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers

(2014) Andre Schleife et al.   COMPUTING IN SCIENCE & ENGINEERING

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 stopping power of H and He in Al and LiF from first principles

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

Nuclear stopping power in warm and hot dense matter

(2013) Gérald Faussurier et al.   PHYSICS OF PLASMAS

Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations

(2012) André Schleife et al.   JOURNAL OF CHEMICAL PHYSICS

The helium atom in metallic electron gases: a comparative study based on screened Schrödinger Hamiltonians

(2012) I Nagy et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Simulation of high-energy ion collisions with graphene fragments

(2012) Sergiy Bubin 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

Electronic Excitations of Slow Ions in a Free Electron Gas Metal: Evidence for Charge Exchange Effects

(2011) D. Primetzhofer et al.   PHYSICAL REVIEW LETTERS

Architecture of Qbox: A scalable first-principles molecular dynamics code

(2010) F. Gygi   IBM JOURNAL OF RESEARCH AND DEVELOPMENT

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

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

Time-Dependent Density Functional Theory Molecular Dynamics Simulations of Liquid Water Radiolysis

(2008) Ivano Tavernelli et al.   CHEMPHYSCHEM

TIME-DEPENDENT CURRENT-DENSITY FUNCTIONAL THEORY FOR THE FRICTION OF IONS IN AN INTERACTING ELECTRON GAS

(2008) V. U. NAZAROV et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Electronic excitation in anAr7+ion traversing a graphene sheet: Molecular dynamics simulations

(2008) Yoshiyuki Miyamoto et al.   PHYSICAL REVIEW B