ArticleNature communications2019
Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Perspective: Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics.Journal of chemical theory and computation · 2025Review
- A numerically exact description of ultrafast vibrational decoherence in vibration-coupled electron transfer.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets.The journal of physical chemistry letters · 2023Article
- Minimizing non-radiative decay in molecular aggregates through control of excitonic coupling.Nature communications · 2023Article
- Dynamical Simulations of Carotenoid Photoexcited States Using Density Matrix Renormalization Group Techniques.The journal of physical chemistry. A · 2023Article
- Materials discovery of ion-selective membranes using artificial intelligence.Communications chemistry · 2022Review
- State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak.Chemical science · 2022Article
- Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learning.Chemical science · 2021Review
- Towards multistate multimode landscapes in singlet fission of pentacene: the dual role of charge-transfer states.Chemical science · 2021Article
- Accurate Truncations of Chain Mapping Models for Open Quantum Systems.Nanomaterials (Basel, Switzerland) · 2021Article
- Probing intramolecular vibronic coupling through vibronic-state imaging.Nature communications · 2021Article
- Matrix Product State Simulations of Non-Equilibrium Steady States and Transient Heat Flows in the Two-Bath Spin-Boson Model at Finite Temperatures.Entropy (Basel, Switzerland) · 2021Article
- Impact of Vibrational Modes in the Plasmonic Purcell Effect of Organic Molecules.ACS photonics · 2020Article
- Coherent Effects in Charge Transport in Molecular Wires: Toward a Unifying Picture of Long-Range Hole Transfer in DNA.The journal of physical chemistry letters · 2020Article
- Polaritonic molecular clock for all-optical ultrafast imaging of wavepacket dynamics without probe pulses.Nature communications · 2020Article
- Simulating Quantum Vibronic Dynamics at Finite Temperatures With Many Body Wave Functions at 0 K.Frontiers in chemistry · 2020Article
- A molecular movie of ultrafast singlet fission.Nature communications · 2019Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The simulation of open quantum dynamics is a critical tool for understanding how the non-classical properties of matter might be functionalised in future devices. However, unlocking the enormous potential of molecular quantum processes is highly challenging due to the very strong and non-Markovian coupling of 'environmental' molecular vibrations to the electronic 'system' degrees of freedom. Here, we present an advanced but general computational strategy that allows tensor network methods to effectively compute the non-perturbative, real-time dynamics of exponentially large vibronic wave functions of real molecules. We demonstrate how ab initio modelling, machine learning and entanglement analysis can enable simulations which provide real-time insight and direct visualisation of dissipative photophysics, and illustrate this with an example based on the ultrafast process known as singlet fission.
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