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Freecurve generates predictive Boltzmann  ensembles

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Integrating fundamental Physics with AI into real-world predictive power!

  • Chemical accuracy

  • No experiments needed

  • Quantum training from dimers only

  • Ground truth for Gen-AI training

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Reliable data and predictive models powering drug,energy, and materials discovery

•Hydration (PNAS)

•Solvation (Nature Comm.)

•Ionic systems (JCTC)

•Protein-ligand binding energies (JACS)

Antibody mutations  (Internal)

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Freecurve accuraely models catalysis

  • Water dissociates at 2000K in a vacuum and at room temperature in the body with a catalyst - environment matters!

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  • DFT requires clusters and multiple approximations, yet still lacks the accuracy to distinguish species from intermediates

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  • Freecurve predicts catalytic products and intermediates with first-principles, chemical accuracy—no approximations

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The Determination of Free Energy of Hydration of Water Ions from First Principles.  Butin, et al. 2024 (JACS)​​​​​​​​

© Freecurve Labs, 2025

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