Related papers: Analysis of the Time Reversible Born-Oppenheimer M…
In this work, we present a detailed study of the dynamics and stability of fundamental spatiotemporal solitons emerging in multimode waveguides with a parabolic transverse profile of the linear refractive index. Pulsed beam propagation in…
The Ultrarelativistic Quantum Molecular Dynamics [UrQMD] model is widely used to simulate heavy ion collisions in broad energy ranges. It consists of various components to implement the different physical processes underlying the transport…
For over a century, termolecular, or third order, chemical reactions have been explained by the Lindemann Hinshelwood mechanism, assuming sequential stabilization via bimolecular encounters. Here, we demonstrate that barrierless…
Single-molecule experimental techniques track the real-time dynamics of molecules by recording a small number of experimental observables. Following these observables provides a coarse-grained, low-dimensional representation of the…
Despite advancements in high-performance computing and modern numerical algorithms, computational cost remains prohibitive for multi-query kinetic plasma simulations. In this work, we develop data-driven reduced-order models (ROMs) for…
A novel reduced-order model (ROM) formulation for incompressible flows is presented with the key property that it exhibits non-linearly stability, independent of the mesh (of the full order model), the time step, the viscosity, and the…
Molecular dynamics simulations are a cornerstone in science, allowing to investigate from the system's thermodynamics to analyse intricate molecular interactions. In general, to create extended molecular trajectories can be a…
The trapezoidal rule, which is a special case of the Newmark family of algorithms, is one of the most widely used methods for transient hyperbolic problems. In this work, we show that this rule conserves linear and angular momenta and…
This article presents a general framework for recovering missing dynamical systems using available data and machine learning techniques. The proposed framework reformulates the prediction problem as a supervised learning problem to…
We introduce and analyze the physics of "driving reversal" experiments. These are prototype wavepacket dynamics scenarios probing quantum irreversibility. Unlike the mostly hypothetical "time reversal" concept, a "driving reversal" scenario…
We study the possibility to undo the quantum mechanical evolution in a time reversal experiment. The naive expectation, as reflected in the common terminology ("Loschmidt echo"), is that maximum compensation results if the reversed dynamics…
We study the dynamics of the biased sub-Ohmic spin-boson model by means of a time-dependent variational matrix product state (TDVMPS) algorithm. The evolution of both the system and the environment is obtained in the weak- and the…
Graph-based linear scaling electronic structure theory for quantum-mechanical molecular dynamics simulations is adapted to the most recent shadow potential formulations of extended Lagrangian Born-Oppenheimer molecular dynamics, including…
Although the laws of classical physics are deterministic, thermodynamics gives rise to an arrow of time through irreversible processes. In quantum mechanics the unitary nature of the time evolution makes it intrinsically reversible, however…
In nonlinear dynamical systems with highly nonorthogonal linear eigenvectors, linear non-modal analysis is more useful than normal mode analysis in predicting turbulent properties. However, the non-trivial time evolution of non-modal…
We study the the large-$n$ dynamics of the long-range quantum $O(n)$ model, focusing on the strong long-range regime $\alpha<d$. The dynamics of the model exhibits non-trivial features on mesoscopic timescales $t\sim\ln N$, due to the…
Non-KAM (Kolmogorov-Arnold-Moser) systems, when perturbed by weak time-dependent fields, offer a fast route to classical chaos through an abrupt breaking of invariant phase space tori. In this work, we employ out-of-time-order correlators…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
The collisional drift wave instability in a straight magnetic field configuration is studied within a full-F gyro-fluid model, which relaxes the Oberbeck-Boussinesq (OB) approximation. Accordingly, we focus our study on steep background…
We show that deliberately breaking detailed balance in generative diffusion processes can accelerate the reverse process without changing the stationary distribution. Considering the Ornstein--Uhlenbeck process, we decompose the dynamics…