Publications of Matthias Rupp
All genres
Journal Article (11)
1.
Journal Article
Langer, M.F., F. Knoop, C. Carbogno, M. Scheffler and M. Rupp: Heat flux for semilocal machine-learning potentials. Physical Review B 108 (10), L100302 (2023).
2.
Journal Article
M. Rupp: Unified representation of molecules and crystals for machine learning. Machine Learning: Science and Technology 3 (4), 045017 (2022).
and 3.
Journal Article
Sutton, C.A., , L.M. Ghiringhelli, M. Rupp, and M. Scheffler: Identifying domains of applicability of machine learning models for materials science. Nature Communications 11, 4428 (2020).
4.
Journal Article
M. Rupp, and : Chemical diversity in molecular orbital energy predictions with kernel ridge regression. The Journal of Chemical Physics 150 (20), 204121 (2019).
, , 5.
Journal Article
M. Rupp, , , , , , and : Machine-learned multi-system surrogate models for materials prediction. npj Computational Materials 5, 51 (2019).
, 6.
Journal Article
M. Rupp, and : Understanding machine-learned density functionals. International Journal of Quantum Chemistry 116 (11), 819–833 (2016).
, , , , , , 7.
Journal Article
Rupp, M., and : Machine Learning for Quantum Mechanical Properties of Atoms in Molecules. The Journal of Physical Chemistry Letters 6 (16), 3309–3313 (2015).
8.
Journal Article
Rupp, M.: Special issue on machine learning and quantum mechanics. International Journal of Quantum Chemistry 115 (16), 1003–1004 (2015).
9.
Journal Article
Rupp, M.: Machine learning for quantum mechanics in a nutshell. International Journal of Quantum Chemistry 115 (16), 1058–1073 (2015).
10.
Journal Article
M. Rupp, and : Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives. International Journal of Quantum Chemistry 115 (16), 1102–1114 (2015).
, Talk (36)
12.
Talk
13.
Talk
14.
Talk
15.
Talk
16.
Talk
17.
Talk
18.
Talk
19.
Talk
20.
Talk