Related papers: An \textit{ab initio} study of shock-compressed co…
A Spectral Neighbor Analysis (SNAP) machine learning interatomic potential (MLIP) has been developed for simulations of carbon at extreme pressures (up to 5 TPa) and temperatures (up to 20,000 K). This was achieved using a large database of…
First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
We present one-dimensional numerical simulations describing the behavior of solid matter exposed to subpicosecond near infrared pulsed laser radiation. We point out to the role of strong isochoric heating as a mechanism for producing highly…
A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been…
We study the speed of sound in strong-interaction matter at zero temperature and in density regimes which are expected to be governed by the presence of a color-superconducting gap. At (very) high densities, our analysis indicates that the…
Using a modified self-consistent one-dimensional hydrodynamic lagrangian fluid code, laser ablation of solid copper by ultrashort laser pulses in vacuum was simulated to study fundamental mechanisms and to provide a guide for drilling…
We report ab initio calculations of the valence electron momentum distribution function n(p) and dynamic structure factor for warm dense Be at Mbar pressures. We observe an unexpected, strong reshaping of the Compton profile upon increasing…
Material characterization in nano-mechanical tests requires precise interatomic potentials for the computation of atomic energies and forces with near-quantum accuracy. For such purposes, we develop a robust neural-network interatomic…
Collisional relaxation of Coulomb systems is studied in the strongly coupled regime. We use an optical pump-probe approach to manipulate and monitor the dynamics of ions in an ultracold neutral plasma, which allows direct measurement of…
The axially symmetric, swirl-free gas dynamics and interlinked motion of a cork stopper provoked by the opening of a champagne bottle are modelled rigorously and studied numerically. The experimental study by Liger-Belair, Cordier \&…
We perform nonadiabatic simulations of warm dense aluminum based on the electron-force field (EFF) variant of wave-packet molecular dynamics. Comparison of the static ion-ion structure factor with density functional theory (DFT) is used to…
Theoretical calculations of the elastic response of carbon composites and amorphous carbon are reported. The studied composites consist of crystalline nanoinclusions, either spherical diamonds or carbon nanotubes, embedded in amorphous…
We studied the dynamical properties of Au using our previously developed tight-binding method. Phonon-dispersion and density-of-states curves at T=0 K were determined by computing the dynamical-matrix using a supercell approach. In…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
The simulation of vibrational energy transport and quantum thermodynamics with trapped ions requires good methods for the estimation of temperatures. One valuable tool for this purpose is based on the fit of dark resonances in the…
In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…
We map out the critical velocity in the crossover from Bose-Einstein condensation (BEC) to Bardeen-Cooper-Schrieffer superfluidity with ultracold $^{6}$Li gases. A small attractive potential is dragged along lines of constant column…
Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…
In the first paper of this series (Paper I) we computed time dependent simulations of multifluid shocks with chemistry and a transverse magnetic field frozen in the ions, using an adaptive moving grid. In this paper, we present new…