Related papers: Characterizing Atomistic Transitions Using Cross-s…
We consider the system of particles on a finite interval with pair-wise nearest neighbours interaction and external force. This model was introduced by Malyshev to study the flow of charged particles on a rigorous mathematical level. It is…
The Aubry transition between sliding and pinned phases, driven by the competition between two incommensurate length scales, represents a paradigm that is applicable to a large variety of microscopically distinct systems. Despite previous…
Simulation of a quantum many-body system at finite temperatures is crucially important but quite challenging. Here we present an experimentally feasible quantum algorithm assisted with continuous-variable for simulating quantum systems at…
The Gaussian state description of continuous variables is adapted to describe the quantum interaction between macroscopic atomic samples and continuous-wave light beams. The formalism is very efficient: a non-linear differential equation…
Large continuous-time Markov chains with exponentially small transition rates arise in modeling complex systems in physics, chemistry and biology. We propose a constructive graph-algorithmic approach to determine the sequence of critical…
Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…
The experimental realisation of large scale many-body systems has seen immense progress in recent years, rendering full tomography tools for state identification inefficient, especially for continuous systems. In order to work with these…
The exploration of solid-solid phase transition suffers from the uncertainty of how atoms in two crystal structures match. We devised a theoretical framework to describe and classify crystal-structure matches (CSM). Such description fully…
A massively parallel method to build large transition rate matrices from temperature accelerated molecular dynamics trajectories is presented. Bayesian Markov model analysis is used to estimate the expected residence time in the known state…
The development of non-Hermitian topological band theory has led to observations of novel topological phenomena in effectively classical, driven and dissipative systems. However, for open quantum many-body systems, the absence of a ground…
We analyze, in general terms, the evolution of energy levels in quantum mechanics, as a function of a coupling parameter, and demonstrate the possibility of level crossings in systems described by irreducible matrices. In long-range…
We perform quantum mechanically exact calculations of resonances in the spectrum of the hydrogen atom in crossed external fields and establish a close connection between the classical transition state in phase space and features in the…
Gaussian states, operations, and measurements are central building blocks for continuous-variable quantum information processing which paves the way for abundant applications, especially including network-based quantum computation and…
In the framework of mapped pseudospectral methods, we introduce a new polynomial-type mapping function in order to describe accurately the dynamics of systems developing almost singular structures. Using error criteria related to the…
A simple similarity has been proposed for kinetic (e.g., particle-in-cell) simulations of plasma transport that can effectively address the longstanding challenge of reconciling the tiny Debye length with the vast system size. This applies…
Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…
Classical phase transitions, like solid-liquid-gas or order-disorder spin magnetic phases, are all driven by thermal energy fluctuations by varying the temperature. On the other hand, quantum phase transitions happen at absolute zero…
Clustering is one of the fundamental tasks in data analytics and machine learning. In many situations, different clusterings of the same data set become relevant. For example, different algorithms for the same clustering task may return…
Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…
Topological gapless phases of matter have been a recent interest among theoretical and experimental condensed matter physicists. Fermionic chains with extended nearest neighbor couplings have been observed to show unique topological…