3 papers
physics.chem-ph2026
Accurate, full-dimensional computations of thousands of complex vibrational eigenstates with tree tensor network states
Henrik R. Larsson, Brieuc Le Dé, Gino E. Gamboni
Tree tensor network states (TTNSs) combined with the density matrix renormalization group (DMRG) are emerging as powerful tools for vibrational and vibronic structure simulations i…
physics.chem-ph2025
Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton Transfer
Brieuc Le Dé, Simon Huppert, Riccardo Spezia +1
The quantum dynamics of Excited State Intramolecular Proton Transfer (ESIPT) is studied using a non-Markovian open quantum system perspective. Models of 2-(2-hydroxyphenyl) benzoth…
quant-ph2020
The role of the multiple excitation manifold in a driven quantum simulator of an antenna complex
A. W. Chin, B. Le Dé, E. Mangaud +2
Biomolecular light-harvesting antennas operate as nanoscale devices in a regime where the coherent interactions of individual light, matter and vibrational quanta are non-perturbat…