Real-world data typically contain a large number of features that are often heterogeneous in nature...
L. E. Ratcliff, W. Dawson, G. Fisicaro, D. Caliste, S. Mohr, A. Degomme, B. Videau, V. Cristiglio,...
N. Marzari, A. Ferretti, and C. Wolverton
S. P. Huber, E. Bosoni, M. Bercx, J. Bröder, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, A...
L. Stixrude, S. Baroni, and F. Grasselli
N. Wittemeier, M. J. Verstraete, P. Ordejón, and Z. Zanolli
C. Zeni, K. Rossi, T. Pavloudis, J. Kioseoglou, S. de Gironcoli, R. E. Palmer, and F. Baletto
R. Cuadrado, R. Robles, A. García, M. Pruneda, P. Ordejón, J. Ferrer, and Jorge I. Cerdá
C. Zeni, K. Rossi, A. Glielmo, and S. de Gironcoli
M. Marsili, A. Molina-Sánchez, M. Palummo, D. Sangalli, and A. Marini
M. G. Betti, E. Placidi, C. Izzo, E. Blundo, A. Polimeni, M. Sbroscia, J. Avila, P. Dudin, K. Hu, Y...
M. Bonacci, M. Zanfrognini, E. Molinari, A. Ruini, M. J. Caldas, A. Ferretti, and D. Varsano
The Workshop on HPC (High Performance Computing) Co-design in Computational Materials and Molecular...
C. E. P. Villegas, M. S. Leite, A. Marini, and A. R. Rocha
Photoexcited metals can produce highly energetic hot carriers whose controlled generation and...
The authors highlight with first-principles molecular dynamics the persistence of intrinsic ⟨111⟩...
Michele Kotiuga, Samed Halilov, Boris Kozinsky, Marco Fornari, Nicola Marzari, and Giovanni Pizzi
Dynamical potentials appear in many advanced electronic-structure methods, including self-energies...
M. Bonacci, M. Zanfrognini, E. Molinari, A. Ruini, M. J. Caldas, A. Ferretti, and D. Varsano
D. Nabok, M. Tas, S. Kusaka, E. Durgun, C. Friedrich, G. Bihlmayer, S. Blügel, T. Hirahara, and I...
Monolayer C3N is an emerging two-dimensional indirect band gap semiconductor with interesting...
The authors present a combined theoretical and experimental study of the electronic structure of...