| 2023 | Accelerated chemical science with AI | Aron Walsh | Review |
| 2023 | Exploring the High-Temperature Stabilization of Cubic Zirconia from Anharmonic Lattice Dynamics | Aron Walsh | Article |
| 2023 | Four-electron negative- U vacancy defects in antimony selenide | Aron Walsh | Article |
| 2023 | From Cubic to Hexagonal: Electronic Trends across Metal Halide Perovskite Polytypes | Aron Walsh | Article |
| 2023 | Imperfections are not 0 K: free energy of point defects in crystals | Aron Walsh | Review |
| 2023 | Inhomogeneous Defect Distribution in Mixed-Polytype Metal Halide Perovskites | Aron Walsh | Article |
| 2023 | Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields | Aron Walsh | Article |
| 2023 | Microscopic Origin of Electrochemical Capacitance in Metal-Organic Frameworks | Aron Walsh | Article |
| 2023 | Mixed-Cation Vacancy-Ordered Perovskites (Cs2Ti1-xSnxX6; X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability | Aron Walsh | Article |
| 2023 | Models of orientational disorder in hybrid organic-inorganic piezoelectric materials | Aron Walsh | Article |
| 2023 | Models of Oxygen Occupancy in Lead Phosphate Apatite Pb<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>O | Aron Walsh | Article |
| 2023 | Models of Polaron Transport in Inorganic and Hybrid Organic-Inorganic Titanium Oxides | Aron Walsh | Article |
| 2023 | Nature of the Superionic Phase Transition of Lithium Nitride from Machine Learning Force Fields | Aron Walsh | Article |
| 2024 | Open computational materials science | Aron Walsh | Article |
| 2023 | Phase Transitions, Dielectric Response, and Nonlinear Optical Properties of Aziridinium Lead Halide Perovskites | Aron Walsh | Article |
| 2023 | Structural Dynamics Descriptors for Metal Halide Perovskites | Aron Walsh | Article |
