Number of items: 3.
2023
Shetty, Pranav ; Rajan, Arunkumar Chitteth ; Künneth, Christopher ; Gupta, Sonakshi ; Panchumarti, Lakshmi Prerana ; Holm, Lauren ; Zhang, Chao ; Ramprasad, Rampi:
A general-purpose material property data extraction pipeline from large polymer corpora using natural language processing.
In: npj Computational Materials.
Vol. 9
(2023)
Issue 1
.
- 52.
ISSN 2057-3960
DOI: https://doi.org/10.1038/s41524-023-01003-w
Jung, Hyunwook ; Sauerland, Lena ; Stocker, Sina ; Reuter, Karsten ; Margraf, Johannes T.:
Machine-Learning Driven Global Optimization of Surface Adsorbate Geometries.
In: npj Computational Materials.
Vol. 9
(2023)
.
- 114.
ISSN 2057-3960
DOI: https://doi.org/10.1038/s41524-023-01065-w
2018
Falkowski, Max ; Künneth, Christopher ; Materlik, Robin ; Kersch, Alfred:
Unexpectedly large energy variations from dopant interactions in ferroelectric HfO₂ from high-throughput ab initio calculations.
In: npj Computational Materials.
Vol. 4
(2018)
Issue 1
.
- 73.
ISSN 2057-3960
DOI: https://doi.org/10.1038/s41524-018-0133-4
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