ACEworks  and Materials Design are rolling forward their successful collaboration with the full integration of the GRACEmaker code of ACEworks in the MedeA  computational environment. The GRACEmaker code is based on the Graph Atomic Cluster Expansion (GRACE), one of the most advanced methods for the generation of Machine-Learned Potentials (MLPs). MedeA 3.12  provides comprehensive support of the leading GRACE 1L and 2L potentials in MedeA  LAMMPS . This includes access to t

Join this webinar and explore how MLPs extend DFT accuracy to large, complex systems and long time scales. Learn how MedeA’s MLP Generator streamlines training, enables advanced materials-property predictions, and supports real-world research in corrosion, phase stability, defects, and catalysis. Ideal for scientists and engineers in multiscale modeling.

Upcoming MedeA VASP Training Materials Design announces an online training session featuring MedeA, the industry-leading atomistic...

This significant work explores the innovative application of machine-learned potentials (MLPs) to improve the accuracy and efficiency of pr

Materials Design presents an interview with a pioneer in computational materials design: Prof. Gregory B. Olson

MedeA VASP Training: Experience the ease with which atomistic models may be constructed and VASP simulations may be launched, monitored, and

Webinar: From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach #engineering #compchem

The partnership will connect MedeA Environment outputs to ICMD® models to provide common clients with the most accurate predictive and presc

Upcoming Webinar Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles In this webinar we describe the development...