Number of items: 2.
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.
[ 🗎 Public].
[ (✓) hoa:511 ]
2020
Gastegger, Michael, McSloy, Adam, Luya, Michael, Schütt, Kristof and Maurer, Reinhard J.
(2020)
A deep neural network for molecular wave functions in quasi-atomic minimal basis representation.
Journal of Chemical Physics, 153
(4).
0444123.
doi:10.1063/5.0012911
ISSN 0021-9606.
[ 🗎 Public].
This list was generated on Mon Jan 30 20:26:04 2023 GMT.
