Geometry optimizations under stress: Graphite to Diamond phase transition (video tip of the week)

Multiscale Modelling of Transition Metal Carbides

Fast and accurate prediction of Kevlar’s mechanical properties via ANI-2X Machine Learning Potential (video tip of the week)

Chemistry automation by Evgeny Pidko

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

Revolutionising Catalysis Industry through Automated Multiscale Modeling and Active Exploration of Chemical Space

Comparing ReaxFF parametersets with ParAMS (video tip of the week)

Discuss your materials research at the MRS Spring meeting

Discuss your chemistry research at the ACS Spring meeting

Discuss your materials research at the APS March meeting