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Publication DateArticle TitleAuthor(s)
4-Apr-2018Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum MechanicsZhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan
12-Jun-2020Deep neural network for the dielectric response of insulatorsZhang, Linfeng; Chen, Mohan; Wu, Xifan; Wang, Han; E, Weinan, et al
20-Jul-2020Continuous-time Monte Carlo renormalization groupWu, Yantao; Car, Roberto
1-Jan-2018Deep Potential: A General Representation of a Many-Body Potential Energy SurfaceHan, Jiequn; Zhang, Linfeng; Car, Roberto; E, Weinan
16-Jul-2018DeePCG: Constructing coarse-grained models via deep neural networksZhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan
26-Aug-2019Determination of the critical manifold tangent space and curvature with Monte Carlo renormalization groupWu, Yantao; Car, Roberto
11-Feb-2020Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and PerformanceKo, Hsin-Yu; Jia, Junteng; Santra, Biswajit; Wu, Xifan; Car, Roberto, et al
29-Apr-2021Enhancing the formation of ionic defects to study the ice Ih/XI transition with molecular dynamics simulationsPiaggi, Pablo M; Car, Roberto
28-Jan-2020Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamicsCalegari Andrade, Marcos F; Ko, Hsin-Yu; Zhang, Linfeng; Car, Roberto; Selloni, Annabella
3-Dec-2018End-to-end symmetry preserving inter-atomic potential energy model for finite and extended systemsZhang, Linfeng; Han, Jiequn; Wang, Han; Saidi, Wissam; Car, Roberto, et al