Recent developments

Thanks to our collaboration with Stephan Steinmann and the intensive work of Carles Aliod Marti, Sarah Blanck, and Paul Clabaut, you can now benefit from our recent developments to:

• Dock flexible molecules on a surface, including proton dissociation using DockOnSurf
• Compute solvation energies contributions on adsorption at the MMSolv level of theory using SolvHybrid
• Use new force fields for metal/water and oxide/water using CP2K.