Related papers: Multiscale and multimodel simulation of Bloch poin…
The numerical simulation of quantum many-body dynamics is typically limited by the linear growth of entanglement with time. Recently numerical studies have shown, however, that for 1D Bethe-integrable models the simulation of local…
We aim to explore a more efficient way to simulate few-body dynamics on quantum computers. Instead of mapping the second quantization of the system Hamiltonian to qubit Pauli gates representation via the Jordan-Wigner transform, we propose…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…
We present a novel method to simulate the Lindblad equation, drawing on the relationship between Lindblad dynamics, stochastic differential equations, and Hamiltonian simulations. We derive a sequence of unitary dynamics in an enlarged…
We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…
We present an atomistic model of a single nanoparticle with core/shell structure that takes into account its lattice strucutre and spherical geometry, and in which the values of microscopic parameters such as anisotropy and exchange…
This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…
A simple stochastic model of solute drag by moving grain boundaries (GBs) is presented. Using a small number of parameters, the model describes solute interactions with GBs and captures nonlinear GB dynamics, solute saturation in the…
The Bloch sphere representation is a geometric model for all possible quantum states of a two-level system that can be used to describe the time dynamics of a qubit. As explicit application, we consider the time dynamics of a particle in a…
Soft continuum robots achieve complex deformation through elastic equilibrium, making their reachable motions governed jointly by structural design and actuation-induced mechanics. This work develops a general formulation that integrates…
Change point analyses are concerned with identifying positions of an ordered stochastic process that undergo abrupt local changes of some underlying distribution. When multiple processes are observed, it is often the case that information…
Quantum many-body simulation provides a straightforward way to understand fundamental physics and connect with quantum information applications. However, suffering from exponentially growing Hilbert space size, characterization in terms of…
Most of the current understanding of structure-property relations at the molecular and the supramolecular scales can be formulated in terms of the stability of and the interactions between a limited number of recurring structural motifs…
Hard-magnetic soft materials (HMSMs) are particulate composites that consist of a soft matrix embedded with particles of high remnant magnetic induction. Since the application of an external magnetic flux induces a body couple in HMSMs, the…
A brief review is presented of the scaling of complex fluids, polymers and polyelectrolytes in solution and in confined geometry, in thermodynamical, structural and rheology properties using equilibrium and nonequilibrium dissipative…
The local approach to computing electrostatic interactions proposed by Maggs and adapted by Pasichnyk for molecular dynamics simulations is extended to situations where the dielectric background medium is inhomogeneous. We furthermore…
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine…
We explore the quantum dynamics of a one-dimensional trapped ultracold ensemble of bosonic atoms triggered by the sudden creation of a single ion. The numerical simulations are performed by means of the ab initio multiconfiguration…
Micromagnetic modelling provides the ability to simulate large magnetic systems accurately without the computational cost limitation imposed by atomistic modelling. Through micromagnetic modelling it is possible to simulate systems…