Kucukbenli, Emine
Kucukbenli, Emine
Scuola Internazionale Superiore di Studi Avanzati
A systematic approach to generating accurate neural network potentials: the case of carbon
2021-01-01 Shaidu, Y.; Kucukbenli, E.; Lot, R.; Pellegrini, F.; Kaxiras, E.; de Gironcoli, S.
Advanced capabilities for materials modelling with Quantum ESPRESSO
2017-01-01 Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; De Gironcoli, S.; Delugas, P.; Distasio, R. A.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H. -Y.; Kokalj, A.; Kücükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H. -V.; Otero-De-La-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.
Lithium Adsorption on Graphene at Finite Temperature
2018-01-01 Shaidu, Yusuf; Küçükbenli, Emine; De Gironcoli, Stefano
Nuclear Magnetic Resonance Study of Complex Molecular Crystals From First Principles: Case of Cholesterol
2011-10-28 Kucukbenli, Emine
Phonons in nonlocal van der Waals density functional theory
2016-01-01 Sabatini, Riccardo; Kucukbenli, Emine; Pham, Cong Huy; de Gironcoli, Stefano Maria
Reproducibility in density functional theory calculations of solids
2016-01-01 Lejaeghere, Kurt; Bihlmayer, Gustav; Björkman, Torbjörn; Blaha, Peter; Blügel, Stefan; Blum, Volker; Caliste, Damien; Castelli, Ivano E; Clark, Stewart J; Dal Corso, Andrea; de Gironcoli, Stefano Maria; Deutsch, Thierry; Dewhurst, John Kay; Di Marco, Igor; Draxl, Claudia; Dułak, Marcin; Eriksson, Olle; Flores Livas, José A; Garrity, Kevin F; Genovese, Luigi; Giannozzi, Paolo; Giantomassi, Matteo; Goedecker, Stefan; Gonze, Xavier; Grånäs, Oscar; Gross, E. K. U; Gulans, Andris; Gygi, François; Hamann, D. R; Hasnip, Phil J; Holzwarth, N. A. W; Iuşan, Diana; Jochym, Dominik B; Jollet, François; Jones, Daniel; Kresse, Georg; Koepernik, Klaus; Kucukbenli, Emine; Kvashnin, Yaroslav O; Locht, Inka L. M; Lubeck, Sven; Marsman, Martijn; Marzari, Nicola; Nitzsche, Ulrike; Nordström, Lars; Ozaki, Taisuke; Paulatto, Lorenzo; Pickard, Chris J; Poelmans, Ward; Probert, Matt I. J; Refson, Keith; Richter, Manuel; Rignanese, Gian Marco; Saha, Santanu; Scheffler, Matthias; Schlipf, Martin; Schwarz, Karlheinz; Sharma, Sangeeta; Tavazza, Francesca; Thunström, Patrik; Tkatchenko, Alexandre; Torrent, Marc; Vanderbilt, David; van Setten, Michiel J; Van Speybroeck, Veronique; Wills, John M; Yates, Jonathan R; Zhang, Guo Xu; Cottenier, Stefaan
The CECAM electronic structure library and the modular software development paradigm
2020-01-01 Oliveira, M. J. T.; Papior, N.; Pouillon, Y.; Blum, V.; Artacho, E.; Caliste, D.; Corsetti, F.; De Gironcoli, S.; Elena, A. M.; Garcia, A.; Garcia-Suarez, V. M.; Genovese, L.; Huhn, W. P.; Huhs, G.; Kokott, S.; Kucukbenli, E.; Larsen, A. H.; Lazzaro, A.; Lebedeva, I. V.; Li, Y.; Lopez-Duran, D.; Lopez-Tarifa, P.; Luders, M.; Marques, M. A. L.; Minar, J.; Mohr, S.; Mostofi, A. A.; O'Cais, A.; Payne, M. C.; Ruh, T.; Smith, D. G. A.; Soler, J. M.; Strubbe, D. A.; Tancogne-Dejean, N.; Tildesley, D.; Torrent, M.; Yu, V. W. -Z.
zeta-Glycine: insight into the mechanism of a polymorphic phase transition
2017-01-01 Bull, Craig L.; Flowitt-Hill, Giles; De Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.