Subpicosecond metamagnetic phase transition driven by non-equilibrium electron dynamics

F. Pressacco, D. Sangalli, V. Uhlíř, D. Kutnyakhov, J. A. Arregi, S. Y. Agustsson, G. Brenner, H. Redlin, M. Heber, D. Vasilyev, J. Demsar, G. Schönhense, M. Gatti, A. Marini, W. Wurth, and F. Sirotti

Nat Commun 12, 5088 (2021) DOI: 10.1038/s41467-021-25347-3

A systematic approach to generating accurate neural network potentials: the case of carbon

Y. Shaidu, E. Kucukbenli, R. Lot, F. Pellegrini, E. Kaxiras, and S. de Gironcoli

npj Computational Materials 7, 52 (2021) DOI: 10.1038/s41524-021-00508-6

Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities

M. Winkelmann, E. Di Napoli, D. Wortmann, and S. Blügel

Front. Phys. 8:618142 (2021) DOI: 10.3389/fphy.2020.618142

Time-dependent screening explains the ultrafast excitonic signal rise in 2D semiconductors

V. Smejkal, F. Libisch, A. Molina-Sanchez, L. Wirtz, and A. Marini

ACS Nano 15, 1, 1179–1185 (2021) DOI: 10.1021/acsnano.0c08173

Narrowing of d bands of FeCo layers intercalated under graphene

D. Pacilè, C. Cardoso, G. Avvisati, I. Vobornik, C. Mariani, D. A. Leon, P. Bonfà, D. Varsano, A. Ferretti, and M. G. Betti

Appl. Phys. Lett. 118, 121602 (2021) DOI: 10.1063/5.0047266

Optical Signatures of Defect Centres in Transition Metal Dichalcogenide Monolayers

P. M. M. C. de Melo, Z. Zanolli, and M. J. Verstraete

Advanced Quantum Technologies (2021) DOI:10.1002/qute.202000118

Magnetic response and electronic states of well defined Graphene/Fe/Ir(111) heterostructure

C. Cardoso, G. Avvisati, P. Gargiani, M. Sbroscia, M. S. Jagadeesh, C. Mariani, D. A. Leon, D. Varsano, A. Ferretti, and M. G. Betti

Phys. Rev. Materials 5, 014405 (2021) DOI:10.1103/PhysRevMaterials.5.014405

AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

A. V. Yakutovich, K. Eimre, O. Schütt, L. Talirz, C. S. Adorf, C. W. Andersen, E. Ditler, D. Du, D. Passerone, B. Smit, N. Marzari, G. Pizzi, and C. A. Pignedoli

Computational Materials Science 188, 110165 (2021) DOI:10.1016/j.commatsci.2020.110165

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