Partners

VASP Software GmbH develops the Vienna Ab initio Simulation Package (VASP), the world's leading density functional theory (DFT) software for atomistic materials modeling. Materials Design is the exclusive commercial distributor of VASP and has worked closely with the VASP team for over two decades. Through MedeA, researchers benefit from an integrated environment for building models, running VASP calculations, automating workflows, and analyzing results.

Rescale provides cloud-based high-performance computing that enables organizations to access scalable computing resources on demand. Together with MedeA, Rescale allows researchers to run large-scale simulations efficiently without the need to maintain dedicated on-premises HPC infrastructure.

QuesTek is a pioneer in Integrated Computational Materials Engineering (ICME), helping organizations accelerate the design and deployment of advanced materials. Our collaboration combines QuesTek's ICMD® platform with MedeA's atomistic simulation capabilities, enabling seamless workflows from first-principles modeling to engineering-scale materials design.

OpenMOPAC provides efficient semi-empirical quantum chemistry methods for rapid molecular modeling and property prediction. Through MedeA, researchers can incorporate MOPAC calculations into broader multiscale workflows alongside first-principles and atomistic simulation methods.

OVITO is one of the world's leading visualization and analysis tools for atomistic simulations. Integration with MedeA enables users to seamlessly transfer simulation results for advanced visualization, defect analysis, and post-processing of molecular dynamics and electronic structure calculations.

NVIDIA is a global leader in GPU computing and AI acceleration. MedeA supports GPU-enabled simulation engines that leverage NVIDIA hardware to dramatically accelerate atomistic simulations, enabling researchers to study larger systems and longer time scales more efficiently.

Polymer Expert is a global leader in polymer informatics and property prediction. Working with Dr. Jozef Bicerano, creator of the P3C methodology, Materials Design has integrated Polymer Expert technologies and the PEARL polymer database into MedeA, providing powerful capabilities for polymer design, property prediction, and materials discovery.

Intellegens develops AI software for scientific discovery, using advanced machine learning to extract insights from sparse and complex experimental data. Together, AI-driven analytics and MedeA's physics-based simulations help researchers accelerate materials discovery and optimize development workflows.

IFP Energies nouvelles (IFPEN) is a leading French research institute focused on energy, mobility, catalysis, and sustainable technologies. Through scientific collaboration, IFPEN and Materials Design have advanced computational methods that support industrial research across energy and materials applications.

Gus Hart is the creator of UNCLE (Universal Cluster Expansion), a powerful software package for alloy thermodynamics, phase stability, and cluster expansion modeling. Through its integration with MedeA, researchers can efficiently develop cluster expansion models and perform high-throughput materials design workflows for multicomponent alloy systems.

Gaussian develops one of the most widely used quantum chemistry packages for molecular electronic structure calculations. MedeA integrates Gaussian into its workflow environment, allowing users to combine molecular quantum chemistry with atomistic and multiscale materials simulations within a unified platform.

Exxact designs and delivers high-performance computing workstations, clusters, and AI infrastructure for scientific computing. Their hardware platforms provide researchers with optimized systems for running demanding MedeA, VASP, and molecular simulation workloads.

DCS Computing provides high-performance computing expertise and scientific software solutions for computational research. Their experience in HPC infrastructure and deployment helps organizations maximize the performance and scalability of MedeA across modern computing environments.

AMD develops high-performance CPUs and GPUs for scientific computing and supercomputing. MedeA and its integrated simulation engines are optimized to take advantage of modern AMD processor architectures, providing customers with flexible, high-performance computing options for materials simulation.