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Rendering molecular interactions predictively

Precision molecular simulations advancing energy, drug discovery, and materials design.

Founding Team

Founding Father, Nobel Laureate 

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Principal Strategic Advisor

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scientist

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CFO, Sr. Scientist

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Director Simulations

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Director Forcefields

Fundamental Problems Solved by Freecurve

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LIQUID MIXTURES  
Solvation free energy, partition coefficients, all properties

Correlation of 0.98 to experimental values  

Given water’s critical role in biology, predicting its properties must closely mirror real-world behavior. (Nature Commun. 2022)  

PROTEINS & LIGANDS
PARP, MCL1, CDK2, and Thrombin   

Correlation of 0.98 to experimental values

The gold standard for biomolecule predictive modeling within acceptable medicinal chemist margin of error (JACS 2023)

BATTERIES
Li+ solvation in electrolytes   

Accurate within 2% of measurement  

Precise electrolyte modeling predicts the behavior of lithium ions in real-world conditions, improving the performance, efficiency, and lifespan of lithium-ion batteries and energy storage systems (JACS 2023)  

ENZYME MODELING   Prediction of reaction intermediates’ energies   

Accurate within 2% of measurement  

Enabling researchers to understand reaction pathways, optimize processes, and design more efficient catalysts  (JCTC 2024)  

METALS
Copper ore enrichment POC, estimated   

Accurate within 4% of measurement

Achieving such close alignment with real-world outcomes can potentially increase copper yields by 5-10% (internal white paper)

Our Partners:

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psivant

© Freecurve Labs, 2025

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