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| Publication Date | Article Title | Author(s) |
|---|---|---|
| 11-Aug-2022 | Homogeneous ice nucleation in an ab initio machine-learning model of water | Piaggi, Pablo M; Weis, Jack; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G; Car, Roberto |
| 4-Aug-2022 | Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations | Bore, Sigbjørn L; Piaggi, Pablo M; Car, Roberto; Paesani, Francesco |
| 7-Jun-2021 | Manifestations of metastable criticality in the long-range structure of model water glasses | Gartner, Thomas E; Torquato, Salvatore; Car, Roberto; Debenedetti, Pablo G |
| 2-Feb-2017 | Migration of a carbon adatom on a charged single-walled carbon nanotube | Han, Longtao; Krstic, Predrag; Kaganovich, Igor; Car, Roberto |
| 6-Jul-2020 | Influence of point defects on the electronic and topological properties of monolayer WTe2 | Muechler, Lukas; Hu, Wei; Lin, Lin; Yang, Chao; Car, Roberto |
| 17-Apr-2020 | Quantum ESPRESSO toward the exascale | Giannozzi, Paolo; Baseggio, Oscar; Bonfà, Pietro; Brunato, Davide; Car, Roberto, 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 |
| 13-Dec-2021 | Heat transport in liquid water from first-principles and deep neural network simulations | Tisi, Davide; Zhang, Linfeng; Bertossa, Riccardo; Wang, Han; Car, Roberto, et al |
| 10-Oct-2018 | Occupation probabilities as variables in electronic structure theory: cooper pairing, OP-NSOFT-Cs,t, and the homogeneous electron liquid | Gebauer, Ralph; Cohen, Morrel H; Car, Roberto |
| 9-Jun-2021 | Phase Diagram of a Deep Potential Water Model | Zhang, Linfeng; Wang, Han; Car, Roberto; E, Weinan |