| Big data in a nano world: a review on computational, data-driven design of nanomaterials structures, properties, and synthesis RX Yang, CA McCandler, O Andriuc, M Siron, R Woods-Robinson, ... ACS nano 16 (12), 19873-19891, 2022 | 22 | 2022 |
| Automated adsorption workflow for semiconductor surfaces and the application to zinc telluride O Andriuc, M Siron, JH Montoya, M Horton, KA Persson Journal of chemical information and modeling 61 (8), 3908-3916, 2021 | 16 | 2021 |
| Equilibrium Particle Shape and Surface Chemistry of Disordered Li-Excess, Mn-Rich Li-ion Cathodes through First-Principles Modeling J Burns, B Ouyang, J Cheng, MK Horton, M Siron, O Andriuc, R Yang, ... Chemistry of Materials 34 (16), 7210-7219, 2022 | 8 | 2022 |
| Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics AR Epstein, EWC Spotte-Smith, MC Venetos, O Andriuc, KA Persson Journal of Chemical Theory and Computation 19 (11), 3159-3171, 2023 | 3 | 2023 |
| Data-Driven Investigation of Tellurium-Containing Semiconductors for CO2 Reduction: Trends in Adsorption and Scaling Relations M Siron, O Andriuc, KA Persson The Journal of Physical Chemistry C 126 (31), 13224-13236, 2022 | 1 | 2022 |
| Systematic Computational Study of Oxide Adsorption Properties for Applications in Photocatalytic CO2 Reduction O Andriuc, M Siron, K Persson | | 2024 |
