Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. On machine learning force fields for metallic nanoparticles
 
review article

On machine learning force fields for metallic nanoparticles

Zeni, Claudio
•
Rossi, Kevin  
•
Glielmo, Aldo
Show more
January 1, 2019
Advances In Physics-X

Machine learning algorithms have recently emerged as a tool to generate force fields which display accuracies approaching the ones of the ab-initio calculations they are trained on, but are much faster to compute. The enhanced computational speed of machine learning force fields results key for modelling metallic nanoparticles, as their fluxionality and multi-funneled energy landscape needs to be sampled over long time scales. In this review, we first formally introduce the most commonly used machine learning algorithms for force field generation, briefly outlining their structure and properties. We then address the core issue of training database selection, reporting methodologies both already used and yet unused in literature. We finally report and discuss the recent literature regarding machine learning force fields to sample the energy landscape and study the catalytic activity of metallic nanoparticles.

  • Details
  • Metrics
Type
review article
DOI
10.1080/23746149.2019.1654919
Web of Science ID

WOS:000486020000001

Author(s)
Zeni, Claudio
Rossi, Kevin  
Glielmo, Aldo
Baletto, Francesca
Date Issued

2019-01-01

Published in
Advances In Physics-X
Volume

4

Issue

1

Article Number

1654919

Subjects

Physics, Multidisciplinary

•

Physics

•

nanoparticles

•

machine learning

•

force fields

•

nanocatalysis

•

nanoscience

•

structural transitions

•

molecular-dynamics

•

genetic algorithms

•

clusters

•

nanoalloys

•

representation

•

minimization

•

potentials

•

catalysis

•

ensemble

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
IMX  
Available on Infoscience
September 29, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/161663
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés