Derek Metcalf - Dissemin

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All papers authored by Derek Metcalf

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2023 Carlos H. Borca

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, Zachary L. Glick

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, Derek P. Metcalf

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, Lori A. Burns

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, C. David Sherrill

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Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion

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Caroline T. Sargent, Derek P. Metcalf

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, Zachary L. Glick

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, Carlos H. Borca

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, C. David Sherrill

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Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods

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2022 Derek P. Metcalf

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, Zachary L. Glick

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, C. David Sherrill

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Range-dependence of two-body intermolecular interactions and their energy components in molecular crystals

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2020 Derek P. Metcalf

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, Steven A. Spronk

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, Daniel L. Cheney, C. David Sherrill, C. David Sherrill

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Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge

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Zachary L. Glick

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, Derek P. Metcalf

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, Alexios Koutsoukas, Steven A. Spronk

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, Daniel L. Cheney, C. David Sherrill

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AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

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Derek P. Metcalf

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, Alexios Koutsoukas, Steven A. Spronk

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, Brian L. Claus, Deborah A. Loughney, Stephen R. Johnson, Daniel L. Cheney, C. David Sherrill

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Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory

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