134 citations · 437 across the 17 of their papers we have counts for
3 papers · 1 filter
Neural Network Potentials for Chemistry: Concepts, Applications and Prospects
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly +1
Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of poten…
Transfer learning for affordable and high quality tunneling splittings from instanton calculations
Silvan Käser, Jeremy O. Richardson, Markus Meuwly
The combination of transfer learning (TL) a low level potential energy surface (PES) to a higher level of electronic structure theory together with ring-polymer instanton (RPI) the…
Hydration Dynamics and IR Spectroscopy of 4-Fluorophenol
Seyedeh Maryam Salehi, Silvan Käser, Kai Töpfer +5
Halogenated groups are relevant in pharmaceutical applications and potentially useful spectroscopic probes for infrared spectroscopy. In this work, the structural dynamics and infr…