Number of items: 4.
2023
Ghiringhelli, Luca M.,
Baldauf, Carsten,
Bereau, Tristan,
Brockhauser, Sandor,
Carbogno, Christian,
Chamanara, Javad,
Cozzini, Stefano,
Curtarolo, Stefano,
Draxl, Claudia,
Dwaraknath, Shyam et al.
(2023)
Shared metadata for data-centric materials science.
Scientific Data, 10
(1).
626.
doi:
10.1038/s41597-023-02501-8
ISSN 2052-4463.
2022
Zhang, Liwei, Onat, Berk, Dusson, Geneviève, McSloy, Adam, Anand, G., Maurer, Reinhard J., Ortner, Christoph and Kermode, James R.
(2022)
Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models.
npj Computational Materials, 8
(1).
158.
doi:10.1038/s41524-022-00843-2
ISSN 2057-3960.
2020
Onat, Berk, Ortner, Christoph and Kermode, James R.
(2020)
Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentials.
The Journal of Chemical Physics, 153
(14).
144106.
doi:10.1063/5.0016005
ISSN 0021-9606.
Ansari, Narjes, Onat, Berk, Sosso, Gabriele C. and Hassanali, Ali
(2020)
Insights into the emerging networks of voids in simulated supercooled water.
The Journal of Physical Chemistry B, 124
(11).
pp. 2180-2190.
doi:10.1021/acs.jpcb.9b10144
ISSN 1520-6106.
This list was generated on Tue Mar 19 01:30:23 2024 GMT.