Neural network potentials for chemistry: concepts, applications and prospects
Abstract
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 energy surfaces (PES) and spectroscopic predictions.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2023
- Source ID
- 10.1039/d2dd00102k
Entities
People
- Kai Töpfer
- Luis Itza Vazquez-Salazar
- Markus Meuwly
- Silvan Käser
Organizations
- Air Force Office of Scientific Research
- Marie Skłodowska-Curie Actions
- Swiss National Science Foundation
- University of Basel