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2024

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  • C. Tezak, J. Clary, S. Gerits, J. Quinton, B. Rich, N. Singstock, A. Alherz, T. Aubry, S. Clark, R. Hurst, M. Del Ben, C. Sutton, R. Sundararaman, C. Musgrave and D. Vigil-Fowler, + “BEAST DB: Grand-Canonical Database of Electrocatalyst Properties”, + arXiv:2405.20239 (2024) +

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  • D. Weinberg, O. A. Hull, J. M. Clary, R. Sundararaman, D. Vigil-Fowler and M. Del Ben, + “Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance”, + arXiv:2405.20258 (2024) +

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  • J. M. Clary, O. A. Hull, D. Weinberg, R. Sundararaman, M. Del Ben and D. Vigil-Fowler, + “Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry”, + chemrxiv-2024-25pch (2024) +

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  • M. M. Kelley, J. Quinton, K. Fazel, N. Karimitari, C. Sutton and R. Sundararaman, + “Bridging electronic and classical density-functional theory using universal machine-learned functional approximations”, + arXiv:2405.20270 (2024) +

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  • K. Fazel, N. Karimitari, T. Shah, C. Sutton and R. Sundararaman, “Improving the reliability of machine learned potentials for modeling inhomogeneous liquids”, J. Comput. Chem. , in press (2024)