- K. Eimre, J. I. Urgel, H. Hayashi, M. Di Giovannantonio, P. Ruffieux, S. Sato, S. Otomo, Y. S. Chan, N. Aratani, D. Passerone, O. Gröning, H. Yamada, R. Fasel, C. A. Pignedoli, On-surface synthesis and characterization of nitrogen-substituted undecacenes, Nature Communications 13, 511 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Fasel, Passerone / Project(s): DD3 - M. Iraola, J. L. Mañes, B. Bradlyn, T. Neupert, M. G. Vergniory, S. S. Tsirkin, IrRep: Symmetry eigenvalues and irreducible representations of ab initio band structures, Computer Physics Communications 272, 108226 (2022). [Open Access URL]
Dataset on GitHub.
Group(s): Neupert / Project(s): DD6 - L. Kahle, F. Zipoli, Quality of uncertainty estimates from neural network potential ensembles, Physical Review E 105, 015311 (2022). [Open Access URL]
Group(s): Laino / Project(s): INC1 - J. Nigam, M. J. Willatt, M. Ceriotti, Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties, The Journal of Chemical Physics 156, 014115 (2022).
Dataset on Materials Cloud.
Group(s): Ceriotti / Project(s): DD1 - J. Rizzo, F. Libbi, F. Tacchino, P. J. Ollitrault, N. Marzari, I. Tavernelli, One-particle Green's functions from the quantum equation of motion algorithm, arXiv:2201.01826 (2022). [Open Access URL]
Group(s): Marzari, Tavernelli / Project(s): OSP