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The use of strong-field (i.e. intensities in excess of 10^13 Wcm-2) few-cycle ultrafast (durations of 10 femtoseconds or less) laser pulses to create, manipulate and image vibrational wavepackets is investigated. Quasi-classical modelling…
We use particle-in-magnetohydrodynamics-cells to model particle acceleration and magnetic field amplification in a high Mach, parallel shock in three dimensions and compare the result to 2-D models. This allows us to determine whether 2-D…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics macroscopic physical properties in systems such as solids…
The propagation of intense laser pulses and the generation of high energy electrons from the underdense plasmas are investigated using two dimensional particle-in-cell simulations. When the ratio of the laser power and a critical power of…
In low energy atom-surface scattering, it is possible for the atom to be reflected in a region of attractive potential with no classical turning point. This phenomenon has come to be known as quantum reflection and it can reduce the…
Plasma models, consisting of advection-diffusion Partial Differential Equations coupled with chemical reactions, are widely adopted to describe corona, streamers and dielectric barrier discharges. However, the complex geometry of the…
We investigate ultrafast vibronic dynamics triggered by intense femtosecond infrared pulses in small molecules. Our study is based on numerical simulations performed with 2D model molecules, and analyzed in the perspective of the renown…
We present a novel analytical method for calculating the spectral function and the density of states in speckle potentials, valid in the semiclassical regime. Our approach relies on stationary phase approximations, allowing us to describe…
An extended-MHD model, interfaced with tabular equation-of-state and conductivity models, has been developed in PERSEUS (Physics as an Extended-MHD Relaxation System with an Efficient Upwind Scheme) for simulating a plasma-vacuum interface…
For over twenty years, ultra-cold atomic systems have formed an almost perfect arena for simulating different quantum many-body phenomena and exposing their non-obvious and very often counterintuitive features. Thanks to extremely precise…
Gauge theories describe the fundamental forces of nature. However, high-energy dynamics, such as the formation of quark-gluon plasmas, is notoriously difficult to model with classical methods. Quantum simulation offers a promising…
Modern ultra-intense laser facilities can generate electromagnetic fields strong enough to accelerate particles to near-light speeds over micron-scale distances and also approach the QED critical field, resulting in highly nonlinear and…
Identifying and extracting the past information relevant to the future behaviour of stochastic processes is a central task in the quantitative sciences. Quantum models offer a promising approach to this, allowing for accurate simulation of…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics…
Ultra intense lasers are a promising source of energetic ions for various applications. An interesting approach described in Ferri et al. 2019 argues from Particle-in-Cell simulations that using two laser pulses of half energy (half…
An adaptive modeling method (AMM) that couples a deep neural network potential and a classical force field is introduced to address the accuracy-efficiency dilemma faced by the molecular simulation community. The AMM simulated system is…
For localized and oriented vibrationally excited molecules, the one-body probability density of the nuclei (one-nucleus density) is studied. Like the familiar and widely used one-electron density that represents the probability of finding…
We propose a quantum simulation of a two-level atom coupled to a single mode of the electromagnetic field in the ultrastrong-coupling regime based upon resonant Raman transitions in an atom interacting with a high finesse optical cavity…