19 citations · 20 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2017★ 1 cited
Revisiting an approximation in the Wilson G-matrix formalism and its impact on molecular quantum dynamics
Julius P. P. Zauleck, Sebastian Thallmair, Regina de Vivie-Riedle
Quantum dynamics simulations of reactive molecular processes are commonly performed in a low-dimensional space spanned by highly optimized reactive coordinates. Usually, these sets…
physics.chem-ph2017★ 19 cited
Constructing grids for molecular quantum dynamics using an autoencoder
Julius P. P. Zauleck, Regina de Vivie-Riedle
A challenge for molecular quantum dynamics (QD) calculations is the curse of dimensionality with respect to the nuclear degrees of freedom. A common approach that works especially…