R
Roberto Car
Researcher at Princeton University
Publications - 406
Citations - 90989
Roberto Car is an academic researcher from Princeton University. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 99, co-authored 389 publications receiving 76681 citations. Previous affiliations of Roberto Car include International School for Advanced Studies & University of Geneva.
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Journal ArticleDOI
First-principles studies of Cu clusters
TL;DR: In this paper, equilibrium geometries and electronic properties of neutral and anionic Cu-n (n = 2, 10) clusters are determined via first-principles calculations which treat s and d electrons on an equal footing.
Peer ReviewDOI
DeePMD-kit v2: A software package for Deep Potential models
Jinzhe Zeng,Duoduo Zhang,Denghui Lu,Pinghui Mo,Yixiao Chen,Mari'an Ryn'ik,Liang Huang,Zi Tong Li,Shaochen Shi,Yingze Wang,Hao-Tong Ye,Ping Tuo,Ye Ding,Yifan Li,D. Tisi,Qiyu Zeng,Yu Xia,Koki Muraoka,Junhan Chang,Feng Yuan,Sigbjørn Løland Bore,Chun-Lin Cai,Yinnian Lin,Bo Wang,Jia-yu Xu,Jiahong Zhu,Chenxing Luo,Yuzhi Zhang,Rhys E. A. Goodall,Wenshuo Liang,Sikai Yao,Jingchao Zhang,Renata M. Wentzcovitch,Jiequn Han,Jie-Hua Liu,Wei Jia,Darrin M. York,E Weinan,Roberto Car,Linfeng Zhang,Han Wang +40 more
TL;DR: The DeePMD-kit as mentioned in this paper is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models.
Posted Content
Evidence for a fermionic symmetry-protected topological phase in a two-dimensional Hubbard model
TL;DR: In this paper, the ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase, protected by time-reversal and reflection symmetries.
Book ChapterDOI
First-Principles Theoretical Modeling of Nanotube Growth
TL;DR: In this article, the results of first-principles dynamical simulations of both single and double-walled carbon nanotube edges were reported. And they showed that the open end of carbon single-wall nanotubes (SWNTs) spontaneously closes by forming a graphitic dome in the 2500-3000 K temperature range of synthesis experiments.
Journal Article