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Chemistry

Quantum Computing-Enabled Quantum Chemistry

Utilize hybrid quantum algorithms to perform quantum chemistry simulations, capitalizing on recent progress in quantum computing.

Resources (3)

Pushing the frontiers of density functionals by solving the fractional electron problem
Technology Seed
Unbiasing fermionic quantum Monte Carlo with a quantum computer
Technology Seed
Hybrid Quantum Algorithms for Quantum Monte Carlo
Research and Reviews

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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