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Freecurve Labs

Founded with Michael Levitt, we generate correct, predictive Boltzmann ensembles from first principles. Our simulations predict both molecular structure and interactions.

Evolution of the world model
predictive molecular simulations to advance drug discovery, energy,
and materials design
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Drug discovery

Binding and lead optimization for proteins and ligands

Solvation

Solubility and partition for liquid mixtures

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Electrolyte & electrode R&D for batteries

Energy

Reaction energetics for enzyme modeling

Biochemistry

Freecurve's world model has extremely broad applications, from proteins to liquids to metals. 
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Materials

Process and materials simulations for metals

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Our paper trail begins in 2008, and continues today. Pull up a chair and follow along.
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