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most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations · 2.6k across the 12 of their papers we have counts for

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physics.chem-ph2020★ 153 cited

Interactions between Large Molecules: Puzzle for Reference Quantum-Mechanical Methods

Yasmine S. Al-Hamdani, Péter R. Nagy, Dennis Barton +3

Quantum-mechanical methods are widely used for understanding molecular interactions throughout biology, chemistry, and materials science. Quantum diffusion Monte Carlo (DMC) and co…