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Extended tight‐binding quantum chemistry methods - Bannwarth

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computational chemistry - What’s considered a “higher” level of

Informing geometric deep learning with electronic interactions to

*Informing geometric deep learning with electronic interactions to *

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Computational chemistry - Wikipedia

Best‐Practice DFT Protocols for Basic Molecular Computational

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Thirty years of density functional theory in computational chemistry

Quantum chemical accuracy from density functional approximations

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Benchmarking Quantum Mechanical Levels of Theory for Valence

Ab initio quantum chemistry with neural-network wavefunctions

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Journal of Computational Chemistry - Wiley Online Library

Qubitization of Arbitrary Basis Quantum Chemistry Leveraging

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Qubitization of Arbitrary Basis Quantum Chemistry Leveraging

Computational approaches streamlining drug discovery | Nature

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A database of molecular properties integrated in the Materials

Complexity of life sciences in quantum and AI era - Pyrkov - 2024

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