Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …

Artificial Neural Networks (NN) are already heavily involved in methods and applications for
frequent tasks in the field of computational chemistry such as representation of potential …

The rise of machine learning has greatly influenced the field of computational chemistry and
atomistic molecular dynamics simulations in particular. One of its most exciting prospects is …

High-resolution measurements of angular scattering distributions provide a sensitive test for
theoretical descriptions of collision processes. Crossed beam experiments employing a …

The atom-exchange and atomization dissociation dynamics for the N (4S)+ N2 (1Σg+)
reaction are studied using a reproducing kernel Hilbert space (RKHS)-based, global …

Atomistic simulations using accurate energy functions can provide molecular-level insight
into functional motions of molecules in the gas and in the condensed phase. This …

Context. The dynamics of molecule formation, relaxation, diffusion, and desorption on
amorphous solid water (ASW) is studied in a quantitative fashion. Aims. The formation …

We present the first crossed beam scattering experiment using a Zeeman decelerated
molecular beam. The narrow velocity spreads of Zeeman decelerated NO (X 2 Π 3/2, j= 3/2) …

Understanding the formation of molecules under conditions relevant to interstellar chemistry
is fundamental to characterize the chemical evolution of the universe. Using reactive …

The dynamics of the C (3P)+ O2 (3Σ− g)→ CO (1Σ+)+ O (1D) reaction on its electronic
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …