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19942026
most citedCALYPSO: a method for crystal structure prediction

2.9k citations

Showing 2013Show all

60 papers · 1 filter

math.CO2013★ 1 cited

Connection between the clique number and the Lagrangian of -uniform hypergraphs

Qingsong Tang, Yuejian Peng, Xiangde Zhang +1

There is a remarkable connection between the clique number and the Lagrangian of a 2-graph proved by Motzkin and Straus in 1965. It is useful in practice if similar results hold fo…

physics.atm-clus2013★ 31 cited

Structural and electronic properties of uranium-encapsulated Au14 cage

Yang Gao, Xing Dai, Seung-gu Kang +6

The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more…

cond-mat.str-el2013★ 63 cited

A Novel High-Pressure Monoclinic Metallic Phase of V2O3

Yang Ding, Cheng-Chien Chen, Qiaoshi Zeng +11

Vanadium sesquioxide, V2O3, is a prototypical metal-to-insulator system where, in temperature-dependent studies, the transition always coincides with a corundum-to-monoclinic struc…

math.DG2013★ 18 cited

Left-symmetric algebroids

Jiefeng Liu, Yunhe Sheng, Chengming Bai +1

In this paper, we introduce a notion of a left-symmetric algebroid, which is a generalization of a left-symmetric algebra from a vector space to a vector bundle. The left multiplic…

math.AP2013

Extinction of solutions to a class of fast diffusion systems with nonlinear sources

Yuzhu Han, Wenjie Gao

In this paper, the finite time extinction of solutions to the fast diffusion system , $v_t=\mathrm{div}(|\nabla v|^{q-2}\nabla v)+u^…

math.CO2013★ 1 cited

An extension of Motzkin-Straus Theorem to non-uniform hypergraphs and its applications

Yuejian Peng, Hao Peng, Qingsong Tang +1

In 1965, Motzkin and Straus established a remarkable connection between the order of a maximum clique and the Lagrangian of a graph and provided a new proof of Turán's theorem usin…