State-of the art builders that empower you to construct virtually any system—from individual molecules to complex microstructures—with ease and precision whether working on single models or accelerating discovery through high-throughput workflows.

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Enjoy complete, intuitive control over every aspect of your system construction, enabling seamless design of even the most challenging materials architectures.​​​​

Extensive library of validated classical forcefields, including industry standards like PCFF+, OPLS-AA, TraPPE-UA, MARTINI, EAM, ReaxFF, and advanced Machine Learning Potentials (MLPs).

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PCFF+ leads our all-atom classical forcefields in both accuracy and coverage, and is continuously improved to support a wide range of research applications.

 

Access to specialized forcefields for fluids, polymers, ceramics, metals, and biomolecules with expert-curated parameter sets.

Industry-leading engines optimized for forcefield simulations, delivering superior capabilities, scalability, and accuracy.

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The MedeA software seamlessly integrates multiple world-class simulation engines including LAMMPS (MD) and GIBBS (MC) alongside proprietary solvers, ensuring maximum performance, reliability, and computational efficiency for your most demanding projects.​​​​

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Macroscopic property prediction modules that deliver precise calculations for mechanical, thermal, electronic, and transport properties.

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The property calculators of the MedeA software enable property prediction with full statistical analysis and uncertainty quantification. These modules seamlessly integrate with the MedeA workflow environment, enabling automated property extraction and analysis in HT mode for accelerated materials discovery and optimization.