Materials Property Prediction Services
Our Approach
Material property predictions from simulations have reached an incredible inflection point of capability that can transform your business or research lab.
What can we do?
- Understand what limits your system or material performance
- Improve system performance by studying system and material parameters
- Explore new material performance and interactions through accurate atomic simulations before running costly experiments
How?
- Accurate simulations based on first-principles electronic density functional theory can predict reactive properties of materials but are limited to 100s of atoms and picoseconds of time
- With machine learning on that data we can extend the reach to time and length scales useful to industry (>1000s of atoms and >nanoseconds of time)
- Foundation and custom trained machine learned interatomic potentials unlock these longer scales to predict new dynamic properties directly from simulation