| 2024 | A Hole-Selective Self-Assembled Monolayer for Both Efficient Perovskite and Organic Solar Cells | Aron Walsh | Article |
| 2023 | Accelerated chemical science with AI | Aron Walsh | Review |
| 2025 | Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers | Aron Walsh | Article |
| 2026 | Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells | Aron Walsh | Article |
| 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 |
| 2024 | Has generative artificial intelligence solved inverse materials design? | Aron Walsh | Review |
| 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 |
| 2024 | Interplay between strain and charge in Cu(In,Ga)Se2 flexible photovoltaics | 조윌렴; Aron Walsh | Article |
| 2025 | Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics | Aron Walsh | Article |
| 2023 | Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields | Aron Walsh | Article |
| 2024 | Machine-learning structural reconstructions for accelerated point defect calculations | 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 |
| 2024 | Molecularly Engineered Self-Assembled Monolayers as Effective Hole-Selective Layers for Organic Solar Cells | 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 |
| 2024 | Photo-ferroelectric perovskite interfaces for boosting VOC in efficient perovskite solar cells | Aron Walsh | Article |
| 2024 | Race to the bottom: Bayesian optimisation for chemical problems | Aron Walsh | Review |
| 2026 | Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting | Aron Walsh | Article |
| 2023 | Structural Dynamics Descriptors for Metal Halide Perovskites | Aron Walsh | Article |
| 2024 | Sulfur Vacancies Limit the Open-Circuit Voltage of Sb<sub>2</sub>S<sub>3</sub> Solar Cells | Aron Walsh | Article |
