Browsing by Author Car, Roberto
Showing results 47 to 65 of 65
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| Publication Date | Article Title | Author(s) |
|---|---|---|
| 27-May-2020 | Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations | Piaggi, Pablo M; Car, Roberto |
| 9-Apr-2021 | Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional | Piaggi, Pablo M; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G; Car, Roberto |
| 21-Feb-2018 | Prediction of a magnetic Weyl semimetal without spin-orbit coupling and strong anomalous Hall effect in the Heusler compensated ferrimagnet Ti2MnA | Shi, Wujun; Muechler, Lukas; Manna, Kaustuv; Zhang, Yang; Koepernik, Klaus; et al |
| 22-Feb-2021 | Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning | Jia, Weile; Wang, Han; Chen, Mohan; Lu, Denghui; Lin, Lin; et al |
| 17-Apr-2020 | Quantum ESPRESSO toward the exascale | Giannozzi, Paolo; Baseggio, Oscar; Bonfà, Pietro; Brunato, Davide; Car, Roberto; et al |
| 8-Jan-2020 | Quantum momentum distribution and quantum entanglement in the deep tunneling regime | Wu, Yantao; Car, Roberto |
| 30-Apr-2020 | Raman spectrum and polarizability of liquid water from deep neural networks | Sommers, Grace M; Calegari Andrade, Marcos F; Zhang, Linfeng; Wang, Han; Car, Roberto |
| 11-Jan-2019 | Reliable and practical computational description of molecular crystal polymorphs | Hoja, Johannes; Ko, Hsin-Yu; Neumann, Marcus; Car, Roberto; DiStasio, Robert; et al |
| 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 |
| 28-Aug-2018 | Root-growth of boron nitride nanotubes: experiments and ab initio simulations | Santra, Biswajit; Ko, Hsin-Yu; Yeh, Yao-Wen; Martelli, Fausto; Kaganovich, Igor; et al |
| 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 |
| 18-May-2018 | Thermal expansion in dispersion-bound molecular crystals | Ko, Hsin-Yu; DiStasio, Robert A; Santra, Biswajit; Car, Roberto |
| 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 |
| 28-Nov-2017 | Variational Approach to Monte Carlo Renormalization Group | Wu, Yantao; Car, Roberto |
| 1-Jul-2022 | Viscosity in water from first-principles and deep-neural-network simulations | Malosso, Cesare; Zhang, Linfeng; Car, Roberto; Baroni, Stefano; Tisi, Davide |
| 15-Nov-2016 | A well-scaling natural orbital theory | Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto |