Quantum Crystallography: Current Developments and Future Perspectives

A. Genoni, L. Bučinský, N. Claiser, J. Contreras‐García, B. Dittrich, P. M. Dominiak, E. Espinosa, C. Gatti, P. Giannozzi, J.‐M. Gillet, D. Jayatilaka, P. Macchi, A. Ø. Madsen, L. Massa, C. F. Matta, K. M. Merz Jr., P. N. H. Nakashima, H. Ott, U. Ryde, K. Schwarz, M. Sierka, S. Grabowsky

Chemistry – A European Journal, 2018, 24, pp 10881-10905 DOI: 10.1002/chem.201705952

Linear scaling DFT calculations for large tungsten systems using an optimized local basis.

S. Mohr, M. Eixarch, M. Amsler, M. J. Mantsinen, L. Genovese

Nuclear Materials and Energy, 2018. DOI:10.1016/j.nme.2018.01.002

Precision and efficiency in solid-state pseudopotential calculations

G. Prandini, A. Marrazzo, I. E. Castelli, N. Mounet, N.  Marzari

npj Computational Materials 4, 71 (2018) DOI: https://doi.org10.1038/s41524-018-0127-2

Bonds, lone pairs, and shells probed by means of on-top dynamical correlations.

S. Pittalis, D. Varsano, A. Delgado, C. A. Rozzi

European Physical Journal B, 2018, 91, p 187 DOI: 10.1140/epjb/e2018-90143-4

First-principle investigations of carrier multiplication in Si nanocrystals: A short review

 I. Marri and S. Ossicini

AIP Conference Proceedings, 2018,1990, 020002. DOI: 10.1063/1.5047756

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

V. Wen-zheYua, F. Corsetti, A. García, W. P.Huhn, M. Jacquelin, W. Jia, B.  Lange, L. Lin, J. Lu, W. Mi, A. Seifitokaldani, Á. Vázquez-Mayagoitia, C. Yang, H. Yang, V. Blum

Computer Physics Communications, 2018, 222, pp 267-285. DOI: 10.1016/j.cpc.2017.09.007