IRN launch meeting 2021

Date: September 27, 2021 to October 1, 2021

Where: international Institute Pascal in Orsay, France

Contact: Fabien Gatti

Scope: an extended time for interaction between QDN members with focus on organizational aspects of the network as well as scientific showcases in theoretical methods in quantum dynamics. A way to promote interactions, collaborations, collaborative actions, …

Program: in addition to informal discussions, the following talks were presented.

  • Loïc Joubert-Doriol – “Chemistry with attosecond pulses: inducing charge migration and charge transfer in small biomolecules”
  • Oriol Vendrell – “Progress report on nuclear-electronic dynamics in second quantization with MCTDH”
  • Uwe Manthe – “Symmetries in the MCTDH wavefunction representation and propagation”
  • Peter Schmelcher – “Nonequilibrium Quantum Dynamics of Ultracold Systems: From Multimode Dynamics and Nonlinear Excitations to Impurity and Polaron Physics”
  • Axel Molle – “Electron Dynamics of Interatomic Coulombic Electron Capture in Artificial and Real Atoms”
  • Annika Bande – “Electron Dynamics in Nanostructures on Various Compute Architectures”
  • Zlatko Bačić – “Noncovalently bound molecular dimers with more than four atoms: Inter- and intramolecular rovibrational states and frequency shifts from full-dimensional and fully coupled quantum calculations”
  • Haobin Wang – ” Quantum phase transition in Spin-Boson model”
  • Hans-Dieter Meyer – ” Comparison of the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) Method and the Density Matrix Renormalization Group (DMRG) for Ground State Properties of Linear Rotor Chain”
  • Alexandra Viel – “Non adiabatic effects in the photodetachment spectra of NO3: Jahn-Teller effect and artificial neural network”
  • Tucker Carrington – “A summary of some methods in computational molecular quantum dynamics and some new ideas for using collocation”
  • Markus Schröder – “Combining technologies for high-dimensional quantum dynamics”
  • David Mendive-Tapia – “Optimal mode combination through ␋correlation matrices”
  • Daniel Peláez Ruiz – “Two simple ideas: (i) a novel approach for the representation of operators in MCTDH and (ii) an old idea, the LEGO principle for MCTDH”
  • Etienne Gindensperger – “About photoisomerization, photoswitches and motors”
  • Graham Worth – “Photo-excited Molecular Dynamics: Recent Work”
  • Fabien Gatti – “Different applications of the MCTDH : water dimer, H on graphene, implementation of a Linblad operator for dissipative processes”
  • David Lauvergnat – “Quantum approach: coordinates, KEO”
  • Henrik Larsson – “Tensor network states for vibrational and electronic wavefunctions”