Journal Article (21)
2019
Journal Article
New tolerance factor to predict the stability of perovskite oxides and halides. Science Advances 5 (2), eaav0693 (2019)
Journal Article
Coupled experimental-computational analysis of primary static recrystallization in low carbon steel. Modelling and Simulation in Materials Science and Engineering 28 (1), 014001 (2019)
Journal Article
The NOMAD Laboratory: From Data Sharing to Artificial Intelligence. JPhys Materials 2 (3), 036001 (2019)
Journal Article
Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature. Physical Review Materials 3 (1), 016002 (2019)
Journal Article
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 163, pp. 24 - 36 (2019)
Journal Article
Assessment of Approximate Methods for Anharmonic Free Energies. Journal of Chemical Theory and Computation 15 (11), pp. 5845 - 5857 (2019)
Journal Article
Atomic-scale grain boundary engineering to overcome hot-cracking in additively-manufactured superalloys. Acta Materialia 177, pp. 209 - 221 (2019)
Journal Article
On Strong Scaling Open Source Tools for Mining Atom Probe Tomography Data. Microscopy and Microanalysis 25 (S2 ), pp. 298 - 299 (2019)
Journal Article
Building a Library of Simulated Atom Probe Data for Different Crystal Structures and Tip Orientations Using TAPSim. Microscopy and Microanalysis 25 (2), pp. 320 - 330 (2019)
Journal Article
Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 5, 123 (2019)
Journal Article
Transferability of interatomic potentials for molybdenum and silicon. Modelling and Simulation in Materials Science and Engineering 27 (2), 025007 (2019)
Journal Article
Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO. JPhys Materials 2 (2), 024002 (2019)
Journal Article
On the effect of Re addition on microstructural evolution of a CoNi-based superalloy. Acta Materialia 168, pp. 37 - 51 (2019)
Journal Article
An Automated Computational Approach for Complete In-Plane Compositional Interface Analysis by Atom Probe Tomography. Microscopy and Microanalysis 25 (2), pp. 389 - 400 (2019)
Journal Article
Unraveling the Metastability of Cn2+ (n = 2-4) Clusters. The Journal of Physical Chemistry Letters 10 (3), pp. 581 - 588 (2019)
Journal Article
Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals. New Journal of Physics 21 (10), 105001 (2019)
Journal Article
Sequence-Optimized Peptide Nanofibers as Growth Stimulators for Regeneration of Peripheral Neurons. Advanced Functional Materials 29 (24), 1809112 (2019)
Journal Article
Multidimensional Contrast Limited Adaptive Histogram Equalization. IEEE Access 7, pp. 165437 - 165447 (2019)
Journal Article
3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning methods. PLoS One 14 (11), e0225041 (2019)
Journal Article
Symmetry-guided nonrigid registration: The case for distortion correction in multidimensional photoemission spectroscopy. Ultramicroscopy 202, pp. 133 - 139 (2019)
Journal Article
Excitonic Wave Function Reconstruction from Near-Field Spectra Using Machine Learning Techniques. Physical Review Letters 123 (16), 163202 (2019)
Conference Paper (6)
2019
Conference Paper
We Are Not Your Real Parents: Telling Causal from Confounded by MDL. In: Proceedings of the 2019 SIAM International Conference on Data Mining, pp. 199 - 207 (Eds. Berger-Wolf, T.; Chawla, N.). SIAM International Conference on Data Mining, Calgary, Canada, May 02, 2019 - May 04, 2019. SIAM, Philadelphia, PA (2019)
Conference Paper
Discovering Reliable Dependencies from Data: Hardness and Improved Algorithms. In: Proceedings of the Twenty-Eighth International Joint Conference on Artificial Intelligence, pp. 6206 - 6210 (Ed. Krais, S.). Twenty-Eighth International Joint Conference on Artificial Intelligence, Macao, August 10, 2019 - August 16, 2019. IJCAI (2019)
Conference Paper
Causal Inference on Multivariate and Mixed-Type Data. In: Machine Learning and Knowledge Discovery in Databases, pp. 655 - 671 (Eds. Berlingerio, M.; Bonchi, F.; Gärtner, T.; Hurley, N.; Ifrim, G.). European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases, Dublin, Ireland, September 10, 2018 - September 14, 2018. Springer, Berlin (2019)
Conference Paper
Testing Conditional Independence on Discrete Data using Stochastic Complexity. In: Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics, pp. 496 - 505 (Eds. Chaudhuri, K.; Sugiyama, M.). 22nd International Conference on Artificial Intelligence and Statistics, Naha, Okinawa, Japan, April 16, 2019 - April 18, 2019. PMLR (2019)