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computational tools to predict materials properties at the quantum level. In addition, electronic structure methods that go beyond the accuracy of DFT such as Quantum Monte Carlo, GW, and other advanced
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NIST only participates in the February and August reviews. There is a growing need for high-performance materials for various technological applications. To address this need, the NIST-JARVIS (https
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. This computational approach, incorporating quantum mechanics, can help materials research by a) directly simulating and interpreting experiments, b) establishing relationships between material structure and properties
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