Related papers: Approximate but Accurate Quantum Dynamics from the…
An introduction to the Zwanzig-Mori-G\"{o}tze-W\"{o}lfle memory function formalism (or generalized Drude formalism) is presented. This formalism is used extensively in analyzing the experimentally obtained optical conductivity of strongly…
We continue our study of the statistical properties of particles in equilibrium obeying Smoluchowski dynamics. We show that the system is governed by a kinetic equation of the memory function form and that the memory function is given by…
Generalized master equations provide a theoretically rigorous framework to capture the dynamics of processes ranging from energy harvesting in plants and photovoltaic devices, to qubit decoherence in quantum technologies, and even protein…
We experimentally emulate, in a controlled fashion, the non-Markovian dynamics of a pure dephasing spin-boson model at zero temperature. Specifically, we use a randomized set of external radio-frequency fields to engineer a desired noise…
The numerical simulation of realistic reactive flows is a major challenge due to the stiffness and high dimension of the corresponding kinetic differential equations. Manifold-based model reduction techniques address this problem by…
The adaptive nonconforming Morley finite element method (FEM) approximates a regular solution to the von K\'{a}rm\'{a}n equations with optimal convergence rates for sufficiently fine triangulations and small bulk parameter in the D\"orfler…
We study the properties of the Nakajima-Zwanzig memory kernel for a qubit immersed in a many-body localized (i.e., disordered and interacting) bath. We argue that the memory kernel decays as a power law in both the localized and ergodic…
In this article, we present an extension of the formulation recently developed by the authors (A Framework for Data-Driven Computational Mechanics Based on Nonlinear Optimization, arXiv:1910.12736 [math.NA]) to the structural dynamics…
We have developed and implemented a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation…
We introduce kernel density machines (KDM), an agnostic kernel-based framework for learning the Radon-Nikodym derivative (density) between probability measures under minimal assumptions. KDM applies to general measurable spaces and avoids…
We consider the easy-plane anisotropic spin-1/2 Heisenberg chain in combined uniform longitudinal and transverse staggered magnetic fields. The low-energy limit of his model is described by the sine-Gordon quantum field theory. Using…
We present a new method to approximate the Mori-Zwanzig (MZ) memory integral in generalized Langevin equations (GLEs) describing the evolution of smooth observables in high-dimensional nonlinear systems with local interactions. Building…
Mixed quantum-classical dynamics is a set of methods often used to understand systems too complex to treat fully quantum mechanically. Many techniques exist for full quantum mechanical evolution on quantum computers, but mixed…
We study nonequilibrium cascades in which fragile bound or coherent structures are formed through intermediate states rather than by direct equilibration. Motivated by light-nuclei production in relativistic heavy-ion collisions and by…
Despite very promising results, capturing the dynamics of complex quantum systems with neural-network ans\"atze has been plagued by several problems, one of which being stochastic noise that makes the dynamics unstable and highly dependent…
Extended Lagrangian Born-Oppenheimer molecular dynamics [{\em Phys.\ Rev.\ Lett.\ } {\bf 2008}, {\em 100}, 123004] is presented for Hartree-Fock theory, where the extended electronic degrees of freedom are represented by a density matrix,…
For low dimension systems admitting a moment equation representation (MER), the development of an effective eigenenergy bounding theory applicable to all discrete states had remained elusive, until now. Whereas Handy et al (1988 Phys. Rev.…
In this paper, we present a novel reinforcement learning framework designed to optimize molecular dynamics by focusing on the entire trajectory rather than just the final molecular configuration. Leveraging a stochastic version of…
Quantum Extreme Learning Machine (QELM) is an emerging hybrid quantum machine learning framework that leverages quantum system dynamics to enhance classical models. However, QELM can suffer from the exponential concentration problem, where…
We derive a completely positive post-Markovian master equation (PMME) from a microscopic Markovian collisional model framework, incorporating bath memory effects via a probabilistic single-shot measurement approach. This phenomenological…