Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring
|
journal
|
April 2019 |
An efficient Runge-Kutta (4,5) pair
|
journal
|
September 1996 |
A history of Runge-Kutta methods
|
journal
|
March 1996 |
Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State
|
journal
|
January 2016 |
Maximally localized Wannier functions: Theory and applications
|
journal
|
October 2012 |
Nonlinear polarization evolution using time-dependent density functional theory
|
journal
|
March 2019 |
Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations
|
journal
|
June 2021 |
Calculating electronic stopping power in materials from first principles
|
journal
|
July 2018 |
Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods
|
journal
|
September 2013 |
Architecture of Qbox: A scalable first-principles molecular dynamics code
|
journal
|
January 2008 |
Time-Dependent Density-Functional Theory
|
book
|
December 2011 |
Accurate atomistic first-principles calculations of electronic stopping
|
journal
|
January 2015 |
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance
|
journal
|
February 2020 |
Ab initioSimulation of Helium-Ion Microscopy Images: The Case of Suspended Graphene
|
journal
|
December 2012 |
Complex absorbing potentials
|
journal
|
June 2004 |
Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory
|
journal
|
February 2022 |
Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas
|
journal
|
April 2013 |
First-principles simulation of light-ion microscopy of graphene
|
journal
|
September 2022 |
Inelastic Lifetimes of Hot Electrons in Real Metals
|
journal
|
September 1999 |
Relaxation of electrons in quantum-confined states in Pb/Si(111) thin films from master equation with first-principles-derived rates
|
journal
|
December 2019 |
Anomalous Stopping and Charge Transfer in Proton-Irradiated Graphene
|
journal
|
May 2021 |
Real-Time Exciton Dynamics with Time-Dependent Density-Functional Theory
|
journal
|
August 2021 |
Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge
|
journal
|
October 2018 |
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
|
journal
|
March 2017 |
Electron-phonon thermalization in a scalable method for real-time quantum dynamics
|
journal
|
January 2016 |
Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers
|
journal
|
September 2014 |
Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
|
journal
|
December 2012 |
Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design
|
journal
|
April 2019 |
Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations
|
journal
|
August 2008 |
The 2021 ultrafast spectroscopic probes of condensed matter roadmap
|
journal
|
July 2021 |
Nearsightedness of electronic matter
|
journal
|
August 2005 |
Dielectric-dependent hybrid functionals for heterogeneous materials
|
journal
|
July 2019 |
Electron scattering in time-dependent density functional theory
|
journal
|
June 2018 |
Comparison of electronic energy loss in graphene and BN sheet by means of time-dependent density functional theory
|
journal
|
December 2014 |
Ab Initio
Prediction of a Negative Barkas Coefficient for Slow Protons and Antiprotons in LiF
|
journal
|
January 2022 |
Time-dependent first-principles study of angle-resolved secondary electron emission from atomic sheets
|
journal
|
February 2018 |
Plasmon Couplings from Subsystem Time-Dependent Density Functional Theory
|
journal
|
August 2021 |
Electronic stopping for protons and particles from first-principles electron dynamics: The case of silicon carbide
|
journal
|
September 2016 |
Entropy–Preserving and Entropy–Stable Relaxation IMEX and Multirate Time–Stepping Methods
|
journal
|
September 2022 |
Core Electrons in the Electronic Stopping of Heavy Ions
|
journal
|
September 2018 |
Relaxation Runge--Kutta Methods: Conservation and Stability for Inner-Product Norms
|
journal
|
January 2019 |
Time-Dependent Kohn-Sham Theory with Memory
|
journal
|
August 2005 |
Q uantum ESPRESSO toward the exascale
|
journal
|
April 2020 |
ODE integration schemes for plane-wave real-time time-dependent density functional theory
|
journal
|
January 2019 |
Strongly Constrained and Appropriately Normed Semilocal Density Functional
|
journal
|
July 2015 |
Connection formulas for thermal density functional theory
|
journal
|
May 2016 |
Density-functional calculations of transport properties in the nondegenerate limit and the role of electron-electron scattering
|
journal
|
March 2017 |
Electronic stopping power from first-principles calculations with account for core electron excitations and projectile ionization
|
journal
|
January 2014 |
Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling
|
journal
|
May 2018 |
Propagation of maximally localized Wannier functions in real-time TDDFT
|
journal
|
May 2019 |
Exact conditions on the temperature dependence of density functionals
|
journal
|
May 2016 |
First-principles calculation of hot-electron scattering in metals
|
journal
|
December 2004 |
Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation
|
journal
|
September 2021 |
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
|
journal
|
May 2018 |
VASP on a GPU: Application to exact-exchange calculations of the stability of elemental boron
|
journal
|
July 2012 |
Calculation of the optical response of atomic clusters using time-dependent density functional theory and local orbitals
|
journal
|
December 2002 |
Current-Dependent Exchange-Correlation Potential for Dynamical Linear Response Theory
|
journal
|
September 1996 |
Time-dependent density-functional theory simulation of electron wave-packet scattering with nanoflakes
|
journal
|
July 2014 |
-Shell Core-Electron Excitations in Electronic Stopping of Protons in Water from First Principles
|
journal
|
August 2019 |
X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition
|
journal
|
March 2016 |
Time-dependent density-functional theory in the projector augmented-wave method
|
journal
|
June 2008 |
Real-time, real-space implementation of the linear response time-dependent density-functional theory
|
journal
|
April 2006 |
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method
|
journal
|
April 2012 |
Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory
|
journal
|
November 2021 |
Electron cascades and secondary electron emission in graphene under energetic ion irradiation
|
journal
|
June 2021 |
Density-Functional Theory for Time-Dependent Systems
|
journal
|
March 1984 |
Negative differential conductivity in liquid aluminum from real-time quantum simulations
|
journal
|
October 2018 |
Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power
|
journal
|
September 2017 |
Pre-equilibrium stopping and charge capture in proton-irradiated aluminum sheets
|
journal
|
October 2020 |
Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the plus Bethe-Salpeter approach
|
journal
|
June 2019 |
A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations
|
journal
|
June 2020 |
Hot electron lifetimes in metals probed by time-resolved two-photon photoemission
|
journal
|
August 2015 |
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
|
journal
|
December 2009 |
The uniform electron gas at warm dense matter conditions
|
journal
|
May 2018 |
Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics
|
journal
|
March 2009 |
Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems
|
journal
|
June 2017 |
Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles
|
journal
|
October 2018 |
GW+Ttheory of excited electron lifetimes in metals
|
journal
|
October 2005 |
Exchange-correlation thermal effects in shocked deuterium: Softening the principal Hugoniot and thermophysical properties
|
journal
|
June 2019 |
Propagators for the time-dependent Kohn–Sham equations
|
journal
|
August 2004 |
Coupled Maxwell and time-dependent orbital-free density functional calculations
|
journal
|
February 2021 |
Thermal Properties of the Inhomogeneous Electron Gas
|
journal
|
March 1965 |
Real-space, real-time method for the dielectric function
|
journal
|
September 2000 |
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit
- Jia, Weile; Wang, Lin-Wang; Lin, Lin
-
SC '19: The International Conference for High Performance Computing, Networking, Storage, and Analysis, Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
https://doi.org/10.1145/3295500.3356144
|
conference
|
November 2019 |
Multiscale simulations of electron and ion dynamics in self-irradiated silicon
|
journal
|
July 2020 |
Accuracy of the pseudopotential approximation in ab initio theoretical spectroscopies
|
journal
|
December 2008 |
Direct treatment of interaction between laser-field and electrons for simulating laser processing of metals
|
journal
|
July 2021 |
Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction
|
journal
|
January 2006 |
Representing the thermal state in time-dependent density functional theory
|
journal
|
May 2015 |
Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions
|
journal
|
February 2018 |
Stopping of Deuterium in Warm Dense Deuterium from Ehrenfest Time-Dependent Density Functional Theory: Stopping of Deuterium in Warm Dense Deuterium from Ehrenfest Time-Dependent Density Functional Theory
|
journal
|
June 2016 |
Massively parallel first-principles simulation of electron dynamics in materials
|
journal
|
August 2017 |
Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem
|
journal
|
June 2016 |