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Chemistry
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AI-Accelerated Quantum Chemistry
Leverage AI techniques to accelerate quantum chemistry calculations, improving the speed and accuracy of electronic structure predictions.
Resources
(3)
Ab initio quantum chemistry with neural-network wavefunctions
Technology Seed
Pushing the frontiers of density functionals by solving the fractional electron problem
Technology Seed
Achira
Company
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.