Related papers: Ab initio atom-atom potentials using CamCASP: Many…
We argue that the quenched ultracold plasma presents an experimental platform for studying quantum many-body physics of disordered systems in the long-time and finite energy-density limits. We consider an experiment that quenches a plasma…
We demonstrate that the quantum dynamics of a many-body Fermi-Bose system can be simulated using a Gaussian phase-space representation method. In particular, we consider the application of the mixed fermion-boson model to ultracold quantum…
In purely non-dissipative systems, Lagrangian and Hamiltonian reduction have proven to be powerful tools for deriving physical models with exact conservation laws. We have discovered a hint that an analogous reduction method exists also for…
Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…
Large-scale computer simulations of chemical atoms are used in a wide range of applications, including batteries, drugs, and more. However, there is a problem with efficiency as it takes a long time due to the large amount of calculation.…
We present numerical calculations, and simulations performed on a Rydberg atom quantum simulator, of the adiabatic evolution of many-body quantum systems around a quantum phase transition. We demonstrate that the end-to-end transfer error,…
A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The…
The problem of the low-energy highly-anharmonic quantum dynamics of isolated impurities in solids is addressed by using path-integral Monte Carlo simulations. Interstitial oxygen in silicon is studied as a prototypical example showing such…
We develop a method for simulating colloidal suspensions using multiparticle collision dynamics (MPCD) with a discrete particle model represented as a rigid body. The key steps for incorporating the rigid-body constraints are to thermalize…
A scheme to control the many-boson tunneling process to open space is derived and demonstrated. The number of ejected particles and their velocities can be controlled by two parameters, the threshold of the potential and the interparticle…
Using cold atoms to simulate strongly interacting quantum systems represents an exciting frontier of physics. However, as atoms are nominally neutral point particles, this limits the types of interactions that can be produced. We propose to…
Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start…
In the last twenty years, Rydberg atoms have become a versatile and much studied system for implementing quantum many-body systems in the framework of quantum computation and quantum simulation. However, even in the absence of coherent…
Accurate potential energy surface (PES) descriptions are essential for atomistic simulations of materials. Universal machine learning interatomic potentials (UMLIPs)$^{1-3}$ offer a computationally efficient alternative to density…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
We study the dissipative dynamics of neutral atoms in anisotropic harmonic potentials, immersed in a reservoir species that is not trapped by the harmonic potential. Considering initial motional excitation of the atoms along one direction,…
The size and morphology of defect clusters formed during primary damage play a crucial role in the subsequent microstructural evolution of irradiated materials. Molecular dynamics (MD) simulations of collision cascades in tungsten (W) were…
We present a first-principles computer code package (ABACUS) that is based on density functional theory and numerical atomic basis sets. Theoretical foundations and numerical techniques used in the code are described, with focus on the…
Estimating the steady-state properties of open many-body quantum systems is a fundamental challenge in quantum science and technologies. In this work, we present a scalable approach based on semi-definite programming to derive certified…
We present a novel generic framework to approximate the non-equilibrium steady states of dissipative quantum many-body systems. It is based on the variational minimization of a suitable norm of the quantum master equation describing the…