39 citations · 82 across the 6 of their papers we have counts for
6 papers
Vibrational Activation Triggers Ultrafast Excited State Intramolecular Proton Transfer in Single-Benzene Fluorophores
Brieuc Le Dé, Simon Huppert, Riccardo Spezia +1
Single-benzene fluorophores (SBFs) are exceptionally light-weight quantum emitters which have recently been shown to display Excited State Intramolecular Proton Transfer (ESIPT) an…
Revisiting crossed-correlated baths in open quantum systems simulated by HEOM or T-TEDOPA
Brieuc Le Dé, Etienne Mangaud, Alex W. Chin +1
Excited-state dynamics of open quantum systems is analyzed by the hierarchical equations of motion (HEOM) or the thermalized time-evolving density operator with orthogonal polynomi…
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics
Thibaut Lacroix, Brieuc Le Dé, Angela Riva +2
The MPSDynamics.jl package provides an easy to use interface for performing open quantum systems simulations at zero and finite temperatures. The package has been developed with th…
Managing Temperature in Open Quantum Systems Strongly Coupled with Structured Environments
Brieuc Le Dé, Amine Jaouadi, Etienne Mangaud +2
In non-perturbative non-Markovian open quantum systems, reaching either low temperatures with the hierarchical equations of motion (HEOM) or high temperatures with the Thermalized…
Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics
Brieuc Le Dé, Simon Huppert, Riccardo Spezia +1
Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photo-bases and acids to light-driven, enzymatic cataly…