Image de couverture de livre

Delayed photoisomerisation of the trans-PSB3 retinal toy model using on-the-fly quantum dynamics

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Mallo, María, Gómez-Carrasco, Susana, Gómez, Sandra
Format:	Preprint
Publié:	2025
Sujets:	Chemical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Ultrafast nonadiabatic dynamics of tetraphenylsubstituted nitrogen-based heterocycles
par: Hernández-Rodríguez, Javier, et autres
Publié: (2026)

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH$_2^+$
par: del Mazo-Sevillano, Pablo, et autres
Publié: (2026)

Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs
par: Daría, Alberto Martín Santa, et autres
Publié: (2023)

Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
par: Scheidegger, Alan, et autres
Publié: (2021)

Solvable toy model of negative energetic elasticity
par: Iwaki, Atsushi, et autres
Publié: (2024)

A toy model solved by statistical mechanics for teaching reaction kinetics beyond ideality
par: Brogioli, Doriano, et autres
Publié: (2018)

Accuracy of reaction coordinate based rate theories for modelling chemical reactions: insights from the thermal isomerization in retinal
par: Ghysbrecht, Simon, et autres
Publié: (2023)

Attochemical control of nuclear motion despite fast electronic decoherence
par: Fransén, Lina, et autres
Publié: (2025)

Factorized electron-nuclear dynamics with effective complex potential: on-the-fly implementation for H$_2^+$ in a laser field
par: Stetzler, Julian, et autres
Publié: (2025)

On-the-fly reparametrization of pairwise dispersion interactions for accurate and efficient molecular dynamics: Phase diagram of white phosphorus
par: Muhli, Heikki, et autres
Publié: (2024)

Overcoming the chemical complexity bottleneck in on-the-fly machine learned molecular dynamics simulations
par: Timmerman, Lucas R., et autres
Publié: (2024)

AI-enhanced on-the-fly simulation of nonlinear time-resolved spectra
par: Pios, Sebastian V., et autres
Publié: (2024)

Enhanced Delayed Fluorescence in Non-Local Metasurfaces: The Role of Electronic Strong Coupling
par: Wei, Yu-Chen, et autres
Publié: (2025)

Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
par: Li, Jingjing, et autres
Publié: (2025)

Variational quantum algorithm for non-Markovian quantum dynamics
par: Walters, Peter L., et autres
Publié: (2024)

Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath
par: Prada, Adam, et autres
Publié: (2022)

Ultrafast laser-driven quantum dynamics in positronium chloride
par: Aurbakken, Einar, et autres
Publié: (2026)

Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework
par: Suman, Divya, et autres
Publié: (2025)

An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene
par: Windom, Zachary W., et autres
Publié: (2024)

Selective tracking of charge carrier dynamics in CuInS2 quantum dots
par: Burgos-Caminal, Andrés, et autres
Publié: (2024)

Ultrafast excitonic dynamics in DNA: Bridging correlated quantum dynamics and sequence dependence
par: Herb, D., et autres
Publié: (2024)

Operational impact of quantum resources in chemical dynamics
par: Liebert, Julia, et autres
Publié: (2026)

Photofragmentation of cyclobutanone at 200 nm: TD-DFT vs CASSCF electron diffraction
par: Daría, Alberto Martín Santa, et autres
Publié: (2024)

Complex fluid models of mixed quantum-classical dynamics
par: Gay-Balmaz, François, et autres
Publié: (2023)

MLQD: A package for machine learning-based quantum dissipative dynamics
par: Ullah, Arif, et autres
Publié: (2023)

Benchmarking mixed quantum-classical dynamics for collective electronic strong coupling
par: Kanakati, Arun Kumar, et autres
Publié: (2026)

Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
par: Schrader, Simon Elias, et autres
Publié: (2024)

Bexcitonics: Quasi-particle approach to open quantum dynamics
par: Chen, Xinxian, et autres
Publié: (2024)

Comment on "Unified framework for open quantum dynamics with memory"
par: Makri, Nancy, et autres
Publié: (2024)

Modeling the dynamics of quantum systems coupled to large dimensional baths using effective energy states
par: Attal, Loïse, et autres
Publié: (2023)

Exploiting the path-integral radius of gyration in open quantum dynamics
par: Hunt, Andrew C., et autres
Publié: (2026)

Coherent spatial control of wave packet dynamics on quantum lattices
par: Tutunnikov, Ilia, et autres
Publié: (2023)

Simulating open-system molecular dynamics on analog quantum computers
par: Olaya-Agudelo, V. C., et autres
Publié: (2024)

Exact decomposition of non-Markovian dynamics in open quantum systems
par: Ivanchenkoa, Mariia, et autres
Publié: (2024)

An Automated Framework for Analyzing Structural Evolution in On-the-fly Non-adiabatic Molecular Dynamics Using Autoencoder and Multiple Molecular Descriptors
par: Liu, Hangxu, et autres
Publié: (2025)

Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
par: Jayee, Bhumika, et autres
Publié: (2026)

Introduction to modelling radical pair quantum spin dynamics with tensor networks
par: Hino, Kentaro, et autres
Publié: (2025)

On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
par: Begušić, Tomislav, et autres
Publié: (2020)

Accelerated "on-the-fly" coupled-cluster path-integral molecular dynamics: Impact of nuclear quantum effects on an asymmetric proton
par: Spura, Thomas, et autres
Publié: (2026)

MLatom software ecosystem for surface hopping dynamics in Python with quantum mechanical and machine learning methods
par: Zhang, Lina, et autres
Publié: (2024)