Build and visualize materials models. Apply the full spectrum of computational methods. Whether you’re beginning your simulation journey or leading advanced research, MedeA software empowers R&D and maximizes every compute cycle.
This webinar presents a single, parameter-free simulation workflow that runs from density functional theory to machine-learned interatomic potentials to continuum phase-field modeling, drawing all parameters from atomistic calculations rather than empirical fits. Through case studies in zirconium cladding corrosion, hydride formation and fracture, tritium trapping in oxidized tungsten, and radiation damage, Kyle will show how one atomistics-to-continuum pipeline built on Mede
Dr. Eyert will deliver a talk titled "Machine-Learned Potentials for Transition-Metal Oxides." Transition-metal oxides are a class of materials with diverse and valuable properties, including magnetism, superconductivity, and catalytic activity. Understanding and predicting their behavior is crucial for developing new technologies in energy, electronics, and photonics.
The shift from physical laboratories to in-silico research has transformed materials science, with the Vienna Ab initio Simulation Package (VASP) at its core. As the world’s most widely used density functional theory (DFT) code, VASP drives digital twins, machine learning, and GPU-accelerated simulations on leading supercomputers. MedeA uniquely integrates VASP with workflow automation, job management, and analysis, enabling productive, reproducible, and scalable materials di
Solve your toughest problems with contract research
Where in-house resources are unavailable, we can apply simulation to deliver on key materials research projects.
