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Jonathan Schmidt
Jonathan Schmidt
Verified email at mat.ethz.ch
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Cited by
Cited by
Year
Recent advances and applications of machine learning in solid-state materials science
J Schmidt, MRG Marques, S Botti, MAL Marques
npj Computational Materials 5 (1), 1-36, 2019
16172019
Predicting the thermodynamic stability of solids combining density functional theory and machine learning
J Schmidt, J Shi, P Borlido, L Chen, S Botti, MAL Marques
Chemistry of Materials 29 (12), 5090-5103, 2017
2932017
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
P Borlido, J Schmidt, AW Huran, F Tran, MAL Marques, S Botti
npj Computational Materials 6 (1), 1-17, 2020
1892020
Roadmap on Machine Learning in Electronic Structure
H Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ...
Electronic Structure, 2022
962022
Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional Theory
J Schmidt, CL Benavides-Riveros, MAL Marques
Journal of Physical Chemistry Letters, 2019
802019
Crystal graph attention networks for the prediction of stable materials
J Schmidt, L Pettersson, C Verdozzi, S Botti, MAL Marques
Science Advances 7 (49), eabi7948, 2021
682021
Predicting the stability of ternary intermetallics with density functional theory and machine learning
J Schmidt, L Chen, S Botti, MAL Marques
The Journal of chemical physics 148 (24), 2018
442018
Machine learning the derivative discontinuity of density-functional theory
J Gedeon, J Schmidt, MJP Hodgson, J Wetherell, CL Benavides-Riveros, ...
Machine Learning: Science and Technology 3 (1), 015011, 2021
262021
Reduced density matrix functional theory for superconductors
J Schmidt, CL Benavides-Riveros, MAL Marques
Physical Review B 99 (22), 224502, 2019
242019
High-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites
H Wang, J Schmidt, S Botti, MAL Marques
Journal of Materials Chemistry A, 2021
232021
Machine-learning-assisted determination of the global zero-temperature phase diagram of materials.
J Schmidt, N Hoffmann, HC Wang, P Borlido, PJMA Carriço, ...
Advanced Materials, e2210788-e2210788, 2023
21*2023
A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals
J Schmidt, HC Wang, TFT Cerqueira, MAL Marques
Scientific Data 9 (64), 2022
202022
Machine learning universal bosonic functionals
J Schmidt, M Fadel, CL Benavides-Riveros
Physical Review Research 3 (3), L032063, 2021
142021
Superconductivity in antiperovskites
N Hoffmann, T Cerqueira, J Schmidt, M Marques
npj Computational Materials 8 (1), 2022
122022
Machine-learning correction to density-functional crystal structure optimization
R Hussein, J Schmidt, T Barros, MAL Marques, S Botti
MRS Bulletin 47 (8), 765-771, 2022
82022
Transfer learning on large datasets for the accurate prediction of material properties
N Hoffmann, J Schmidt, S Botti, MAL Marques
Digital Discovery, 2023
52023
Representability problem of density functional theory for superconductors
J Schmidt, CL Benavides-Riveros, MAL Marques
Physical Review B 99 (2), 024502, 2019
52019
Symmetry-based computational search for novel binary and ternary 2D materials
HC Wang, J Schmidt, MAL Marques, L Wirtz, AH Romero
2D Materials 10 (3), 035007, 2023
32023
Computational screening of materials with extreme gap deformation potentials
P Borlido, J Schmidt, HC Wang, S Botti, MAL Marques
npj Computational Materials 8 (1), 156, 2022
22022
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, ...
arXiv:2402.00572v1, 2024
12024
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