shnitsel-tools : a toolkit for the full lifecycle of surface hopping trajectory data

Digital Discovery 2026 Open access

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Authors: Kevin Höllring, Theodor Everley Röhrkasten, Carolin Müller
DOI: 10.1039/d5dd00299k
Cited by: 1
References: 48

Abstract

uses a hierarchical, metadata-rich data model to enable consistent analysis of surface hopping simulations across molecules, methods, and simulation settings.

Fields of Study & Subjects

Quantum chaos and dynamical systems Biomimetic flight and propulsion mechanisms Orbital Angular Momentum in Optics

Publication details

Journal / source
Digital Discovery
Publisher
Royal Society of Chemistry (RSC)
Volume
5
Issue
5
Pages
2016–2027
Publication date
1 January 2026
Language
EN