Trajectory sampling and finite-size effects in first-principles stopping power calculations

Electronic Excitation Response of DNA to High-Energy Proton Radiation in Water

(2023) Christopher Shepard et al.   PHYSICAL REVIEW LETTERS

Improving dynamic collision frequencies: Impacts on dynamic structure factors and stopping powers in warm dense matter

(2023) Thomas W. Hentschel et al.   PHYSICS OF PLASMAS

Quantum simulation of exact electron dynamics can be more efficient than classical mean-field methods

(2023) Ryan Babbush et al.   Nature Communications

Mixed Stochastic-Deterministic Time-Dependent Density Functional Theory: Application to Stopping Power of Warm Dense Carbon

(2022) Alexander James White et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Proton stopping measurements at low velocity in warm dense carbon

(2022) S. Malko et al.   Nature Communications

Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation

(2021) Christopher Shepard et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalous Stopping and Charge Transfer in Proton-Irradiated Graphene

(2021) Alina Kononov et al.   NANO LETTERS

Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

(2020) Bin Gu et al.   JOURNAL OF CHEMICAL PHYSICS

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

(2020) A. J. White et al.   PHYSICAL REVIEW LETTERS

Electronic Excitation Dynamics in DNA under Proton and α-Particle Irradiation

(2019) Dillon C. Yost et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design

(2019) Kisung Kang et al.   COMPUTATIONAL MATERIALS SCIENCE

On alpha-particle transport in inertial fusion

(2019) A. B. Zylstra et al.   PHYSICS OF PLASMAS

K -Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles

(2019) Yi Yao et al.   PHYSICAL REVIEW LETTERS

Calculating electronic stopping power in materials from first principles

(2018) Alfredo A. Correa   COMPUTATIONAL MATERIALS SCIENCE

Electronic stopping power from time-dependent density-functional theory in Gaussian basis

(2018) Ivan Maliyov et al.   EUROPEAN PHYSICAL JOURNAL B

Core Electrons in the Electronic Stopping of Heavy Ions

(2018) Rafi Ullah et al.   PHYSICAL REVIEW LETTERS

In vivo range verification in particle therapy

(2018) Katia Parodi et al.   MEDICAL PHYSICS

Massively parallel first-principles simulation of electron dynamics in materials

(2017) Erik W. Draeger et al.   JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING

Electronic Stopping of Slow Protons in Transition and Rare Earth Metals: Breakdown of the Free Electron Gas Concept

(2017) D. Roth et al.   PHYSICAL REVIEW LETTERS

Ion beam modification of two-dimensional materials: Characterization, properties, and applications

(2017) Ziqi Li et al.   Applied Physics Reviews

Stopping of Deuterium in Warm Dense Deuterium from Ehrenfest Time-Dependent Density Functional Theory

(2016) R. J. Magyar et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State

(2016) A. Lim et al.   PHYSICAL REVIEW LETTERS

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition

(2016) A. D. Baczewski et al.   PHYSICAL REVIEW LETTERS

Accurate atomistic first-principles calculations of electronic stopping

(2015) André Schleife et al.   PHYSICAL REVIEW B

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

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

(2014) Ari Ojanperä et al.   PHYSICAL REVIEW B

Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method

(2012) Ari Ojanperä et al.   JOURNAL OF CHEMICAL PHYSICS

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

Materials challenges for nuclear systems

(2010) Todd Allen et al.   Materials Today

SRIM – The stopping and range of ions in matter (2010)

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