Showing results 7 to 26 of 65
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| Publication Date | Article Title | Author(s) |
| 2015 | Combined Effects of Functional Groups, Lattice Defects, and Edges in the Infrared Spectra of Graphene Oxide | Zhang, Cui; Dabbs, Daniel M.; Liu, Li-Min; Aksay, Ilhan A.; Car, Roberto; et al |
| 20-Jul-2020 | Continuous-time Monte Carlo renormalization group | Wu, Yantao; Car, Roberto |
| 12-Jun-2020 | Deep neural network for the dielectric response of insulators | Zhang, Linfeng; Chen, Mohan; Wu, Xifan; Wang, Han; E, Weinan; et al |
| 24-Mar-2022 | A deep potential model with long-range electrostatic interactions | Zhang, Linfeng; Wang, Han; Muniz, Maria Carolina; Panagiotopoulos, Athanassios Z; Car, Roberto; et al |
| 4-Apr-2018 | Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics | Zhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan |
| 1-Jan-2018 | Deep Potential: A General Representation of a Many-Body Potential Energy Surface | Han, Jiequn; Zhang, Linfeng; Car, Roberto; E, Weinan |
| 16-Jul-2018 | DeePCG: Constructing coarse-grained models via deep neural networks | Zhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan |
| 1-Oct-2013 | Designer spin systems via inverse statistical mechanics | DiStasio, Robert A.; Marcotte, Étienne; Car, Roberto; Stillinger, Frank H.; Torquato, Salvatore |
| 26-Aug-2019 | Determination of the critical manifold tangent space and curvature with Monte Carlo renormalization group | Wu, Yantao; Car, Roberto |
| 1-May-2015 | Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional | Ferri, Nicola; DiStasio, Robert A. Jr.; Ambrosetti, Alberto; Car, Roberto; Tkatchenko, Alexandre |
| 11-Feb-2020 | Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance | Ko, Hsin-Yu; Jia, Junteng; Santra, Biswajit; Wu, Xifan; Car, Roberto; et al |
| 3-Dec-2018 | End-to-end symmetry preserving inter-atomic potential energy model for finite and extended systems | Zhang, Linfeng; Han, Jiequn; Wang, Han; Saidi, Wissam; Car, Roberto; et al |
| 29-Apr-2021 | Enhancing the formation of ionic defects to study the ice Ih/XI transition with molecular dynamics simulations | Piaggi, Pablo M; Car, Roberto |
| Aug-2016 | Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model | Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph |
| 28-Jan-2020 | Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics | Calegari Andrade, Marcos F; Ko, Hsin-Yu; Zhang, Linfeng; Car, Roberto; Selloni, Annabella |
| Dec-2018 | From Colossal to Zero: Controlling the Anomalous Hall Effect in Magnetic Heusler Compounds via Berry Curvature Design | Manna, Kaustuv; Muechler, Lukas; Kao, Ting-Hui; Stinshoff, Rolf; Zhang, Yang; 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 |
| 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 |
| Oct-2011 | Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures | Santra, Biswajit; Klimeš, Jiří; Alfè, Dario; Tkatchenko, Alexandre; Slater, Ben; et al |
| 27-Oct-2020 | Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations | Andreani, Carla; Romanelli, Giovanni; Parmentier, Alexandra; Senesi, Roberto; Kolesnikov, Alexander I; et al |
