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Browsing by Author Car, Roberto

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Showing results 15 to 27 of 27 < previous 
Publication DateArticle TitleAuthor(s)
29-Sep-2017Large-Scale Structure and Hyperuniformity of Amorphous IcesMartelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolás; Car, Roberto
15-Dec-2014Möbius molecules and fragile Mott insulatorsMuechler, Lukas; Maciejko, Joseph; Neupert, Titus; Car, Roberto
21-Oct-2013On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressuresSantra, Biswajit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; et al
5-Feb-2013Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in waterSit, Patrick H.- L.; Car, Roberto; Cohen, Morrel H.; Selloni, Annabella
21-Dec-2016Performance of a nonempirical density functional on molecules and hydrogen-bonded complexesMo, Yuxiang; Tian, Guocai; Car, Roberto; Staroverov, Viktor N.; Scuseria, Gustavo E.; et al
Dec-2015The phase diagram of high-pressure superionic iceSun, Jiming; Clark, Bryan K.; Torquato, Salvatore; Car, Roberto
1-Aug-2016Report on the sixth blind test of organic crystal structure prediction methodsReilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; et al
1-Oct-2012Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and iceKong, Lingzhu; Wu, Xifan; Car, Roberto
2-Jul-2018Searching for crystal-ice domains in amorphous icesMartelli, Fausto; Giovambattista, Nicolas; Torquato, Salvatore; Car, Roberto
14-Jan-2012Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering dataFlammini, Davide; Pietropaolo, Antonino; Senesi, Roberto; Andreani, Carla; McBride, Fiona; et al
15-May-2015Three-dimensional Dirac semimetals: Design principles and predictions of new materialsGibson, QD; Schoop, Leslie M; Muechler, L; Xie, LS; Hirschberger, M; et al
Dec-2016Topological Nonsymmorphic Metals from Band InversionMuechler, Lukas; Alexandradinata, A.; Neupert, Titus; Car, Roberto
15-Nov-2016A well-scaling natural orbital theoryGebauer, Ralph; Cohen, Morrel H.; Car, Roberto