Related papers: Koopmon trajectories in nonadiabatic quantum-class…
Besides the intrinsic noise resilience property, nonadiabatic geometric phases are of the fast evolution nature, and thus can naturally be used in constructing quantum gates with excellent performance, i.e., the so-called nonadiabatic…
We propose a highly efficient mixed quantum-classical molecular dynamics scheme based on a solution of the quantum-classical Liouville equation (QCLE). By casting the equations of motion for the quantum subsystem and classical bath degrees…
We develop a density matrix formalism to describe coupled electron-nuclear dynamics. To this end we introduce an effective Hamiltonian formalism that describes electronic transitions and small (quantum) nuclear fluctuations along a…
This paper presents a data-driven control framework for quadrotor systems that integrates a deep Koopman operator with model predictive control (DK-MPC). The deep Koopman operator is trained on sampled flight data to construct a…
Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…
Many-particle quantum systems often give rise to exotic behaviors in their nonequilibrium dynamics that are rather challenging to reveal with analytical methods or with classical computation. Here, we consider the case of a system of many…
Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed…
Classical mechanics is presented here in a unary operator form, constructed using the binary multiplication and Poisson bracket operations that are given in a phase space formalism, then a Gibbs equilibrium state over this unary operator…
We study the quantum dynamics of a many-body system subject to coherent evolution and coupled to a non-Markovian bath. We propose a technique to unravel the non-Markovian dynamics in terms of quantum jumps, a connection that was so far only…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow…
The quantum-classical Liouville equation describes the dynamics of a quantum subsystem coupled to a classical environment. It has been simulated using various methods, notably, surface-hopping schemes. A representation of this equation in…
In recent years, intensive effort has gone into developing numerical tools for exact quantum mechanical calculations that are based on Bohmian mechanics. As part of this effort we have recently developed as alternative formulation of…
Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…
We extend the recently introduced phaseless auxiliary-field quantum Monte Carlo (QMC) approach to any single-particle basis, and apply it to molecular systems with Gaussian basis sets. QMC methods in general scale favorably with system…
We introduce QC-CBT-AFQMC, a hybrid algorithm that incorporates computational basis tomography (CBT) into the quantum-classical auxiliary-field quantum Monte Carlo (QC-AFQMC) method proposed by Huggins et al. [Nature 603, 416-420 (2022)],…
Koopman-based learning methods can potentially be practical and powerful tools for dynamical robotic systems. However, common methods to construct Koopman representations seek to learn lifted linear models that cannot capture nonlinear…
Quantum reservoir computing (QRC) leverages the high-dimensional, nonlinear dynamics inherent in quantum many-body systems for extracting spatiotemporal patterns in sequential and time-series data with minimal training overhead. Although…
Mixed quantum-classical spin systems have been proposed in spin chain theory and, more recently, in magnon spintronics. However, current models of quantum-classical dynamics beyond mean-field approximations typically suffer from…
A Koopman decomposition is a powerful method of analysis for fluid flows leading to an apparently linear description of nonlinear dynamics in which the flow is expressed as a superposition of fixed spatial structures with exponential time…