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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2005Show all

65 papers · 1 filter

cond-mat.stat-mech2005★ 12 cited

Amplification of Molecular Traffic Control in catalytic grains with novel channel topology design

Andreas Brzank, Gunter M. Schuetz

We investigate the conditions for reactivity enhancement of catalytic processes in porous solids by use of molecular traffic control (MTC). With dynamic Monte-Carlo simulations and…

cond-mat.stat-mech2005★ 23 cited

Properties of Higher-Order Phase Transitions

W. Janke, D. A. Johnston, R. Kenna

Experimental evidence for the existence of strictly higher-order phase transitions (of order three or above in the Ehrenfest sense) is tenuous at best. However, there is no known p…

math.PR2005

Large systems of path-repellent Brownian motions in a trap at positive temperature

Stefan Adams, Jean-Bernard Bru, Wolfgang Koenig

We study a model of mutually repellent Brownian motions under confinement to stay in some bounded region of space. Our model is defined in terms of a transformed path measure…

cond-mat.mtrl-sci2005★ 19 cited

3D-Hydrogen Analysis of Ferromagnetic Microstructures in Proton Irradiated Graphite

P. Reichart, D. Spemann, A. Hauptner +9

Recently, magnetic order in highly oriented pyrolytic graphite (HOPG) induced by proton broad- and microbeam irradiation was discovered. Theoretical models propose that hydrogen co…

gr-qc2005★ 1 cited

Vacuum Fluctuations, Geometric Modular Action and Relativistic Quantum Information Theory

Rainer Verch

A summary of some lines of ideas leading to model-independent frameworks of relativistic quantum field theory is given. It is followed by a discussion of the Reeh-Schlieder theorem…

cond-mat.str-el2005★ 23 cited

Phase structure of an Abelian two-Higgs model and high temperature superconductors

M. N. Chernodub, E. -M. Ilgenfritz, A. Schiller

We study the phase structure of a three dimensional Abelian Higgs model with singly- and doubly-charged scalar fields coupled to a compact Abelian gauge field. The model is pretend…