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20022019
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2017Show all

23 papers · 1 filter

cond-mat.str-el20177 cited

Entanglement and magnetism in high-spin graphene nanodisks

I. Hagymasi, O. Legeza

We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate m…

cond-mat.stat-mech20172 cited

Nonuniversal and anomalous critical behavior of the contact process near an extended defect

R. Juhász, F. Iglói

We consider the contact process near an extended surface defect, where the local control parameter deviates from the bulk one by an amount of , being…

cond-mat.mtrl-sci201746 cited

Mesoporous silica obtained with methyltriethoxysilane as co-precursor in alkaline medium

Ana-Maria Putz, Kunzhou Wang, Adél Len +10

Mesoporous silica particles have been synthesized by sol-gel method from tetraethoxysilane (tetraethylorthosilicate, TEOS) and methyltriethoxysilane (MTES), in ethanol and water mi…

cond-mat.mes-hall201717 cited

An intuitive approach to the unified theory of spin-relaxation

L. Szolnoki, B. Dora, A. Kiss +2

Spin-relaxation is conventionally discussed using two different approaches for materials with and without inversion symmetry. The former is known as the Elliott-Yafet (EY) theory a…

cond-mat.soft201759 cited

Rheology of dense granular flows for elongated particles

Dániel B. Nagy, Philippe Claudin, Tamás Börzsönyi +1

We study the rheology of dense granular flows for frictionless spherocylinders by means of 3D numerical simulations. As in the case of spherical particles, the effective friction $…

cond-mat.mtrl-sci20177.7k cited

Advanced capabilities for materials modelling with Quantum ESPRESSO

P. Giannozzi, O. Andreussi, T. Brumme +47

Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…