A highly accurate full-dimensional ab initio potential surface for the rearrangement of methylhydroxycarbene (H 3 C–C–OH)

HD Wang, YL Fu, B Fu, W Fang… - Physical Chemistry …, 2023 - pubs.rsc.org
We report here a full-dimensional machine learning global potential surface (PES) for the
rearrangement of methylhydroxycarbene (H3C–C–OH, 1t). The PES is trained with the …

[HTML][HTML] Building transport models from baroclinic wave experimental data

M Agaoglou, VJ García-Garrido, U Harlander… - Physics of …, 2024 - pubs.aip.org
In this paper, we study baroclinic waves from both the experimental and the theoretical
perspective. We obtain data from a rotating annulus experiment capable of producing a …

Phase space analysis of the dynamics on a potential energy surface with an entrance channel and two potential wells

M Katsanikas, VJ García-Garrido, M Agaoglou… - Physical Review E, 2020 - APS
In this paper, we unveil the geometrical template of phase space structures that governs
transport in a Hamiltonian system described by a potential energy surface with an …

Using Lagrangian descriptors to calculate the Maslov index of periodic orbits

J Montes, FJ Arranz, F Borondo - Physical Review E, 2024 - APS
The Maslov index of a periodic orbit is an important piece in the semiclassical quantization
of nonintegrable systems, while almost all existing techniques that lead to a rigorous …

Lagrangian descriptors and the action integral of classical mechanics

VJ García-Garrido, S Wiggins - Physica D: Nonlinear Phenomena, 2022 - Elsevier
In this paper we bring together the method of Lagrangian descriptors and the principle of
least action, or more precisely, of stationary action, in both deterministic and stochastic …

Lagrangian descriptors with uncertainty

N Chen, E Lunasin, S Wiggins - Physica D: Nonlinear Phenomena, 2024 - Elsevier
Lagrangian descriptors provide a global dynamical picture of the geometric structures for
arbitrarily time-dependent flows with broad applications. This paper develops a …

Basic Mechanics of Lagrange and Hamilton as Reference for STEM Students

B Nasution, L Alfaris, RC Siagian - Jurnal Penelitian Pendidikan …, 2023 - jppipa.unram.ac.id
This paper discusses the use of Lagrangian and Hamiltonian dynamics as alternative
approaches for understanding the motion of objects in classical mechanics. These …

[HTML][HTML] Learning the chaotic and regular nature of trajectories in Hamiltonian systems with Lagrangian descriptors

J Jiménez-López, VJ García-Garrido - Chaos, Solitons & Fractals, 2025 - Elsevier
In this paper we investigate the use of Machine Learning techniques, specifically Support
Vector Machines (SVMs), to classify chaotic and regular trajectories in Hamiltonian systems …

[HTML][HTML] The Classical Action as a Tool to Visualise the Phase Space of Hamiltonian Systems

F Gonzalez Montoya - Dynamics, 2023 - mdpi.com
In this paper, we analyse the classical action as a tool to reveal the phase space structure of
Hamiltonian systems simply and intuitively. We construct a scalar field using the values of …

Visualizing the phase space of the HeI2 van der Waals complex using Lagrangian descriptors

M Agaoglou, VJ García-Garrido, M Katsanikas… - … in Nonlinear Science …, 2021 - Elsevier
In this paper we demonstrate the capability of the method of Lagrangian descriptors to unveil
the phase space structures that characterize transport in high-dimensional symplectic maps …