New flyers: batteries, semiconductors, polymers, oil & gas & catalysis, parametrization

Capturing Condensable Gases with Ionic Liquids

Microkinetic Modeling of CO Oxidation with AMSKinetics and MKMCXX (video tip of the week)

MD acceleration with collective variable-driven hyperdynamics (video tip of the week)

Detecting reactions from MD trajectories: ChemTraYzer2 (video tip of the week)

COSMO-RS Aided Design of New, Natural Deep Eutectic Solvents for CO2 Capture

Reparametrization of COSMO-RS for (polymer) ionic liquids

MoS2 hydrodesulfurization catalyst

SCM at AIChE, Orlando

New Advanced Tutorial: ReaxFF Parametrization