FHI-vibes: _Ab Initio_ Vibrational Simulations.

Florian Knoop Thomas A. r. Purcell Matthias Scheffler Christian Carbogno

Published in: J. Open Source Softw. (2020)

Keyphrases

molecular dynamics
numerical simulations
information retrieval
genetic algorithm
artificial intelligence
case study
metadata
reinforcement learning
scientific data
mathematical analysis
network topologies