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Accelerating quantum molecular simulations
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DOI：10.1038/s43588-022-00237-w.png)
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Abstract
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Variational Monte Carlo is one of the most accurate methods to solve the many-electron Schrodinger equation, but suffers from high computational cost. A recent study uses a weight-sharing technique to accelerate the neural network-based variational Monte Carlo method, allowing accurate and effective simulations of molecules.
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