New Advanced Tutorial: ReaxFF Parametrization

New Advanced Tutorial: Collective Variable Driven Hyperdynamics – Accelerate MD into seconds timescale.

Advanced ReaxFF training workshops

COSMO-RS: Prediction of cellulose solubilities in ionic liquids

COSMO-RS: Fast sigma profile estimations and new UNIFAC implementation

Developers Tomáš Trnka (ReaxFF) and Nick Austin (COSMO-RS) join SCM

Promoters in Fischer-Tropsch catalysis

Hydrogen embrittlement of steels: a ReaxFF study

Surface activation of MAO

H2 production by PAH gasification