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Chemical Science|November 21, 2024
Delocalization error poisons the density-functional many-body expansionDustin R Broderick, John M HerbertThe Journal of Physical Chemistry Letters|March 7, 2025
Untangling Sources of Error in the Density-Functional Many-Body ExpansionDustin R Broderick, John M HerbertThe Journal of Chemical Physics|November 3, 2023
Scalable generalized screening for high-order terms in the many-body expansion: Algorithm, open-source implementation, and demonstrationDustin R Broderick, John M HerbertJournal of Chemical Theory and Computation|March 30, 2026
Energy-Screened Many-Body Expansion for Protein-Ligand Interactions: Examining Convergence for Metalloenzymes Through Seven-Body InteractionsPaige E Bowling, Dustin R Broderick, John M HerbertJournal of Chemical Information and Modeling|January 3, 2025
Quick-and-Easy Validation of Protein-Ligand Binding Models Using Fragment-Based Semiempirical Quantum ChemistryPaige E Bowling, Dustin R Broderick, John M HerbertThe Journal of Physical Chemistry Letters|April 16, 2023
Fragment-Based Calculations of Enzymatic Thermochemistry Require Dielectric Boundary ConditionsPaige E Bowling, Dustin R Broderick, John M HerbertJournal of Chemical Theory and Computation|January 2, 2025
Convergent Protocols for Computing Protein-Ligand Interaction Energies Using Fragment-Based Quantum ChemistryPaige E Bowling, Dustin R Broderick, John M HerbertWiley Interdisciplinary Reviews. Computational Molecular Science|December 15, 2025
Fragme∩t: An Open-Source Framework for Multiscale Quantum Chemistry Based on FragmentationDustin R Broderick, Paige E Bowling, Chance Brandt, et al.Journal of the American Chemical Society|March 13, 2024
Water-Mediated Charge Transfer and Electron Localization in a Co<sub>3</sub>Fe<sub>2</sub> Cyanide-Bridged Trigonal Bipyramidal ComplexEmily Hruska, Quansong Zhu, Somnath Biswas, et al.Physical Chemistry Chemical Physics : PCCP|January 16, 2024
Visualizing and characterizing excited states from time-dependent density functional theoryJohn M HerbertPageof 15