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Chemistry

AI-Accelerated Quantum Chemistry

Leverage AI techniques to accelerate quantum chemistry calculations, improving the speed and accuracy of electronic structure predictions.

Resources (2)

Achira
Company
Ab initio quantum chemistry with neural-network wavefunctions
Technology Seed

R&D Gaps (1)

In-Silico Molecular Simulation Is Slow and Kludgy

Chemistry
In-silico molecular simulation has not received the necessary push, despite the promise of machine learning-based surrogate models. Moreover, advancements in quantum chemistry—both AI accelerated and quantum/ASIC-enabled—remain underexploited.
Chemistry
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