Browsing by Author Car, Roberto
Showing results 16 to 27 of 27
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Publication Date | Article Title | Author(s) |
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15-Dec-2014 | Möbius molecules and fragile Mott insulators | Muechler, Lukas; Maciejko, Joseph; Neupert, Titus; Car, Roberto |
21-Oct-2013 | On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures | Santra, Biswajit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; et al |
5-Feb-2013 | Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in water | Sit, Patrick H.- L.; Car, Roberto; Cohen, Morrel H.; Selloni, Annabella |
21-Dec-2016 | Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes | Mo, Yuxiang; Tian, Guocai; Car, Roberto; Staroverov, Viktor N.; Scuseria, Gustavo E.; et al |
Dec-2015 | The phase diagram of high-pressure superionic ice | Sun, Jiming; Clark, Bryan K.; Torquato, Salvatore; Car, Roberto |
1-Aug-2016 | Report on the sixth blind test of organic crystal structure prediction methods | Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; et al |
1-Oct-2012 | Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice | Kong, Lingzhu; Wu, Xifan; Car, Roberto |
2-Jul-2018 | Searching for crystal-ice domains in amorphous ices | Martelli, Fausto; Giovambattista, Nicolas; Torquato, Salvatore; Car, Roberto |
14-Jan-2012 | Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data | Flammini, Davide; Pietropaolo, Antonino; Senesi, Roberto; Andreani, Carla; McBride, Fiona; et al |
15-May-2015 | Three-dimensional Dirac semimetals: Design principles and predictions of new materials | Gibson, QD; Schoop, Leslie M; Muechler, L; Xie, LS; Hirschberger, M; et al |
Dec-2016 | Topological Nonsymmorphic Metals from Band Inversion | Muechler, Lukas; Alexandradinata, A.; Neupert, Titus; Car, Roberto |
15-Nov-2016 | A well-scaling natural orbital theory | Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto |