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Jonathan Schmidt | Researchclopedia

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Jonathan Schmidt

University of Colorado Boulder ORCID

88

Works

4,544

Citations

22

h-index

29

i10-index

Research Topics

Machine Learning in Materials Science X-ray Diffraction in Crystallography Computational Drug Discovery Methods

Affiliations

Federal Institute For Materials Research and Testing2024–2024

University of Wisconsin–Madison2012–2012

University of Colorado Boulder2025–2026

Durham University2021–2021

University of Colorado System2025–2026

Top Works

Recent advances and applications of machine learning in solid-state materials science

Jonathan Schmidt,Mário R. G. Marques,et al.

20192,293 citations

Inorganic Chemistry and Materials

Gaussian Processes and Bayesian Inference

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

Jonathan Schmidt,Jingming Shi,et al.

2017326 citations

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

Pedro Borlido,Jonathan Schmidt,et al.

2020324 citations

Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory

Benjamin D. Dunnington,Jonathan Schmidt

2012216 citations

Mixed quantum-classical equilibrium: Surface hopping

Jonathan Schmidt,Priya V. Parandekar,et al.

2008189 citations

Roadmap on Machine learning in electronic structure

Heather J. Kulik,Thomas Hammerschmidt,et al.

2022176 citations

Crystal graph attention networks for the prediction of stable materials

Jonathan Schmidt,Love Pettersson,et al.

2021134 citations

Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional Theory

Jonathan Schmidt,Carlos L. Benavides-Riveros,et al.

2019107 citations

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

Jonathan Schmidt,Noah Hoffmann,et al.

202386 citations