Hauptseminar Theorie und Simulation der weichen Materie WS 2014/2015/Atomistic simulation models: Polarizable versus classical force fields

More information will become available soon.

"{{{number}}}" is not a number.

Date

Topic

Atomistic simulations using classical force fields: Polarizable versus non polarizable force fields

Speaker

Jonas Weber

Tutor

Christian Holm, Konrad Breitsprecher

Contents

Intro Ionic liquids Intro classical force fields

Literature

• Florian Dommert, Katharina Wendler, Robert Berger, Luigi Delle Site, Christian Holm.
  Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments.
  ChemPhysChem 13(7):1625–1637, 2012.
  [PDF] (691 KB) [DOI]
• Florian Dommert.
  From the inhomogeneous electron gas to classical force fields : a multi-scale model for ionic liquids.
  Dissertation, Universitätsbibliothek der Universität Stuttgart, Holzgartenstr. 16, 70174 Stuttgart, mar, 2013.
  [PDF] (6.6 MB) [URL]
• Florian Dommert, Katharina Wendler, Baofu Qiao, Luigi Delle Site, Christian Holm.
  Generic force fields for ionic liquids.
  Journal of Molecular Liquids 192:32–37, 2014.
  [PDF] (711 KB) [DOI]