Data-driven prediction of total ionization cross sections for small molecules using graph neural networks
Abstract Total ionization cross sections (TICS) for electron impact on molecules are essential inputs for plasma modeling and electron-transport simulations. The semi-empirical Binary-Encounter-Bethe (BEB) method provides reliable single-ionization TICS, but every molecule requires a separate quantum-chemical calculati...
Jun-Hyoung Park, Young Choon Park, Hyonu Chang et al.
· Plasma Sources Science and T... · 0 citations