Tag: materials science

Li ion reduction at the graphene surface with eReaxFF (video tip of the week)

By

The right band gaps for the right reason at low computational cost with a Meta-GGA

By

Fast and accurate Li intercalation potentials in layered cathodes with machine learning potentials (video tip of the week)

By

Multi-Time Scale Simulation: How do Polyoxometalates Form?

By

Discuss your chemistry research at the ACS Fall meeting

By

White Paper & Webinar: Combining machine learning with physics and chemistry models to accelerate materials R&D

By

Tribology: Friction coefficients via non-equilibrium molecular dynamics (NEMD) (video tip of the week)

By

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

By

Multiscale Modelling of Transition Metal Carbides

By

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

By