2 papers
cond-mat.mtrl-sci2021
Unraveling the Excitonic Transition and Associated Dynamics in Confined Long Linear Carbon-chains with Time-Resolved Resonance Raman Scattering
Jingyi Zhu, Robin Bernhardt, Weili Cui +9
Long linear carbon-chains have been attracting intense interest arising from the remarkable properties predicted and their potential applications in future nanotechnology. Here we…
physics.chem-ph2019
Symmetrical Graph Neural Network for Quantum Chemistry, with Dual R/K Space
Shuqian Ye, Jiechun Liang, Rulin Liu +1
Most of current neural network models in quantum chemistry (QC) exclude the molecular symmetry, separate the well-correlated real space (R space), and momenta space (K space) into…