Pedro Borlido

Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning

Jonathan Schmidt, Jingming Shi, Pedro Borlido et al. · Chemistry of Materials · 2017 · 323 citations

Engineering, Machine Learning, Machine Learning Tool +25

Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning

Pedro Borlido, Jonathan Schmidt, Ahmad W. Huran et al. · npj Computational Materials · 2020 · 314 citations · Full text

Exchange-correlation Functionals, Engineering, Machine Learning +16

Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids

Pedro Borlido, T. Aull, Ahmad W. Huran et al. · Journal of Chemical Theory and Computation · 2019 · 282 citations · Full text

Engineering, Magnetic Resonance, Computational Chemistry +21

Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials

Jonathan Schmidt, Noah Hoffmann, Hai‐Chen Wang et al. · Advanced Materials · 2023 · 81 citations · Full text

Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals

Fabien Tran, Jan Doumont, Leila Kalantari et al. · arXiv (Cornell University) · 2021 · 49 citations · Full text