Related papers: Algorithm for simulation of quantum many-body dyna…
In computational materials science, coarse-graining approaches often lack a priori uncertainty quantification (UQ) tools that estimate the accuracy of a reduced-order model before it is calibrated or deployed. This is especially the case in…
{Many-body quantum states at thermal equilibrium are ubiquitous in nature. Investigating their dynamical properties is a formidable task due to the complexity of the Hilbert space they live in. Quantum computers may have the potential to…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
The main objective of quantum simulation is an in-depth understanding of many-body physics. It is important for fundamental issues (quantum phase transitions, transport, . . . ) and for the development of innovative materials. Analytic…
We introduce a straightforward numerical coarse-graining scheme to estimate quantum states for a set of noisy measurement outcomes, which are difficult to calibrate, that is based solely on the measurement data collected from these…
While recent advances have established efficient quantum algorithms for preparing Gibbs states of finite-dimensional systems, comparable complexity results for bosonic and other infinite-dimensional models remain unexplored. We introduce…
Coarsening of an isolated far-from-equilibrium quantum system is a paradigmatic many-body phenomenon, relevant from subnuclear to cosmological lengthscales, and predicted to feature universal dynamic scaling. Here, we observe universal…
Several recently proposed semi--automatic and fully--automatic coarse--graining schemes for polymer simulations are discussed. All these techniques derive effective potentials for multi--atom units or super--atoms from atomistic…
The concept of quantum many-body scars has recently been put forward as a route to describe weak ergodicity breaking and violation of the Eigenstate Thermalization Hypothesis. We propose a simple setup to generate quantum many-body scars in…
Molecular dynamics (MD) simulations provide detailed insight into atomic-scale mechanisms but are inherently restricted to small spatio-temporal scales. Coarse-grained molecular dynamics (CGMD) techniques allow simulations of much larger…
A stochastic simulation algorithm for the computation of multitime correlation functions which is based on the quantum state diffusion model of open systems is developed. The crucial point of the proposed scheme is a suitable extension of…
High-performance numerical methods are essential not only for advancing quantum many-body physics but also for enabling integration with emerging quantum computing platforms. We present a scalable and general-purpose parallel algorithm for…
Non-equilibrium properties of strongly interacting gauge theories are often intractable with classical simulation methods. Due to recent developments of quantum simulations, studies of their properties in two spatial dimensions are becoming…
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…
We introduce a scalable variational method for simulating the dynamics of interacting open quantum bosonic systems deep in the quantum regime. The method is based on a multi-dimensional Wigner phase-space representation and employs a…
The rapid development of quantum computers has enabled demonstrations of quantum advantages on various tasks. However, real quantum systems are always dissipative due to their inevitable interaction with the environment, and the resulting…
The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…
We study a coarse-graining map arising from incomplete and imperfect addressing of particles in a multipartite quantum system. In its simplest form, corresponding to a two-qubit state, the resulting channel produces a convex mixture of the…
Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…
Hybrid multiscale modelling has emerged as a useful framework for modelling complex biological phenomena. However, when accounting for stochasticity in the internal dynamics of agents, these models frequently become computationally…