GW with hybrid functionals for large molecular systems
Allen, Tucker, Nguyen, Minh, Neuhauser, Daniel
Published in The Journal of chemical physics (21.09.2024)
Published in The Journal of chemical physics (21.09.2024)
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Journal Article
Optimized Attenuated Interaction: Enabling Stochastic Bethe-Salpeter Spectra for Large Systems
Bradbury, Nadine C, Tucker, Allen, Nguyen, Minh, Ibrahim, Khaled, Neuhauser, Daniel
Published in arXiv.org (16.02.2023)
Published in arXiv.org (16.02.2023)
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Journal Article
Deterministic/Fragmented-Stochastic Exchange for Large-Scale Hybrid DFT Calculations
Bradbury, Nadine C., Allen, Tucker, Nguyen, Minh, Neuhauser, Daniel
Published in Journal of chemical theory and computation (26.12.2023)
Published in Journal of chemical theory and computation (26.12.2023)
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Journal Article
Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations
Sereda, Mykola, Allen, Tucker, Bradbury, Nadine C., Ibrahim, Khaled Z., Neuhauser, Daniel
Published in Journal of chemical theory and computation (28.05.2024)
Published in Journal of chemical theory and computation (28.05.2024)
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Journal Article
A Multi-Institutional Perspective on H/FOSS Projects in the Computing Curriculum
Braught, Grant, MacCormick, John, Bowring, James, Burke, Quinn, Cutler, Barbara, Goldschmidt, David, Krishnamoorthy, Mukkai, Turner, Wesley, Huss-Lederman, Steven, Mackellar, Bonnie, Tucker, Allen
Published in ACM transactions on computing education (01.07.2018)
Published in ACM transactions on computing education (01.07.2018)
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