Molecular dynamics simulations of clays and geochemical systems

Programme

1. 09:00 30 min

   Recent Advances and Challenges in Further ClayFF Development for Atomistic Computational Modeling of Clays, other Geomaterials, their Fluid Interfaces

   Andrey Kalinichev

2. 09:30 30 min

   MINFF: The missing angle term in mineral simulations?

   Michael Holmboe

3. 10:00 30 min

   Ciprofloxacin Adsorption on Goethite: From Surface Approach to Metal-Bonded Binding — A Molecular Dynamics Study

   Sebastian Le Crome

4. 10:30 30 min

   LET’S TALK ABOUT DIRT: from environmental sorptive materials of Earth to biosignatures in Space

   Valentina Erastova

5. 11:00 30 min

   Atomistic Simulation of Magnesium Oxide for Carbon Capture and Sequestration Application

   Feryantama Putra