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In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and piecewise-continuous integrators, which is only formally…

化学物理 · 物理学 2026-03-31 J. Amira Geuther , Kasra Asnaashari , Jeremy O. Richardson

In the first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped simulation domain, under both periodic or…

计算物理 · 物理学 2007-05-23 Aleksandar Donev , Salvatore Torquato , Frank H. Stillinger

We study the application of a new method for simulating nonlinear dynamics of many-body spin systems using quantum measurement and feedback [Mu\~noz-Arias et al., Phys. Rev. Lett. 124, 110503 (2020)] to a broad class of many-body models…

量子物理 · 物理学 2020-08-19 Manuel H. Muñoz-Arias , Ivan H. Deutsch , Poul S. Jessen , Pablo M. Poggi

Identifying dynamical systems characterized by nonlinear parameters presents significant challenges in deriving mathematical models that enhance understanding of physics. Traditional methods, such as Sparse Identification of Nonlinear…

机器学习 · 计算机科学 2025-08-12 Siva Viknesh , Younes Tatari , Chase Christenson , Amirhossein Arzani

Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…

化学物理 · 物理学 2021-03-26 Seonghoon Choi , Jiří Vaníček

We investigate a stochastic approach to non-equilibrium quantum spin systems based on recent insights linking quantum and classical dynamics. Exploiting a sequence of exact transformations, quantum expectation values can be recast as…

统计力学 · 物理学 2019-01-31 S. De Nicola , B. Doyon , M. J. Bhaseen

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

化学物理 · 物理学 2015-06-22 Federica Agostini , Ali Abedi , E. K. U. Gross

Nonlinear mixed effects models represent a powerful tool to simultaneously analyze data from several individuals. In this study a compartmental model of leucine kinetics is examined and extended with a stochastic differential equation to…

定量方法 · 定量生物学 2011-01-05 Martin Berglund , Mikael Sunnåker , Martin Adiels , Mats Jirstrand , Bernt Wennberg

We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…

计算物理 · 物理学 2018-11-21 Jerome Daligault , Dmitry Mozyrsky

The Linear Parameter Varying Dynamical System (LPV-DS) is an effective approach that learns stable, time-invariant motion policies using statistical modeling and semi-definite optimization to encode complex motions for reactive robot…

机器人学 · 计算机科学 2024-03-26 Sunan Sun , Haihui Gao , Tianyu Li , Nadia Figueroa

Positioning is a prominent field of study, notably focusing on Visual Inertial Odometry (VIO) and Simultaneous Localization and Mapping (SLAM) methods. Despite their advancements, these methods often encounter dead-reckoning errors that…

机器人学 · 计算机科学 2024-08-13 Pouyan Navard , Alper Yilmaz

The main purpose of this paper is to formulate new conditions for smooth linearization of nonautonomous systems with discrete and continuous time. Our results assume that the linear part admits a nonuniform polynomial dichotomy and that the…

动力系统 · 数学 2022-10-11 Lucas Backes , Davor Dragicevic , Wenmeng Zhang

We developed a method which performs the coupled adiabatic spin and lattice dynamics based on the tight-binding electronic structure model, where the intrinsic magnetic field and ionic forces are calculated from the converged…

We present a data-driven nonlinear predictive control approach for the class of discrete-time multi-input multi-output feedback linearizable nonlinear systems. The scheme uses a non-parametric predictive model based only on input and noisy…

系统与控制 · 电气工程与系统科学 2023-03-28 Mohammad Alsalti , Victor G. Lopez , Julian Berberich , Frank Allgöwer , Matthias A. Müller

Nonlinear dynamical systems are ubiquitous in nature and they are hard to forecast. Not only they may be sensitive to small perturbations in their initial conditions, but they are often composed of processes acting at multiple scales.…

混沌动力学 · 物理学 2025-10-06 Chenyu Dong , Davide Faranda , Adriano Gualandi , Valerio Lucarini , Gianmarco Mengaldo

In this paper we consider sparse and identifiable linear latent variable (factor) and linear Bayesian network models for parsimonious analysis of multivariate data. We propose a computationally efficient method for joint parameter and model…

机器学习 · 统计学 2011-06-24 Ricardo Henao , Ole Winther

This work introduces SAM-LLM, a novel hybrid architecture that bridges the gap between the contextual reasoning of Large Language Models (LLMs) and the physical precision of kinematic lane change models for autonomous driving. The system is…

人工智能 · 计算机科学 2025-09-04 Zhuo Cao , Yunxiao Shi , Min Xu

This paper investigates the control of nonlinear systems using a piecewise linear approximation framework. The proposed approach combines a PID controller with locally linearized models obtained by partitioning the nonlinear function into…

最优化与控制 · 数学 2026-04-14 Robert Vrabel

Time-reversed evolution has substantial implications in physics, including prominent applications in refocusing of classical waves or spins and fundamental researches such as quantum information scrambling. In quantum metrology, nonlinear…

量子气体 · 物理学 2022-02-15 Qi Liu , Ling-Na Wu , Jia-Hao Cao , Tian-Wei Mao , Xin-Wei Li , Shuai-Feng Guo , Meng Khoon Tey , Li You

We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…

化学物理 · 物理学 2015-08-19 Seung Kyu Min , Federica Agostini , E. K. U. Gross