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19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2007 · cond-mat.softShow all

20 papers · 2 filters

cond-mat.soft2007★ 52 cited

Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles

Christoph Junghans, Michael Bachmann, Wolfhard Janke

We employ a mesoscopic model for studying aggregation processes of protein-like hydrophobic-polar heteropolymers. By means of multicanonical Monte Carlo computer simulations, we fi…

cond-mat.soft2007★ 4 cited

Thermodynamics and Kinetics of a Go Proteinlike Heteropolymer Model with Two-State Folding Characteristics

Anna Kallias, Michael Bachmann, Wolfhard Janke

We present results of Monte Carlo computer simulations of a coarse-grained hydrophobic-polar Go-like heteropolymer model and discuss thermodynamic properties and kinetics of an exe…

cond-mat.soft2007

Star polymers in correlated disorder

V. Blavats'ka, C. von Ferber, Yu. Holovatch

We analyze the impact of a porous medium (structural disorder) on the scaling of the partition function of a star polymer immersed in a good solvent. We show that corresponding sca…

cond-mat.soft2007★ 14 cited

Dynamic structure factor of a stiff polymer in a glassy solution

J. Glaser, O. Hallatschek, K. Kroy

We provide a comprehensive overview of the current theoretical understanding of the dynamic structure factor of stiff polymers in semidilute solution based on the wormlike chain (W…

cond-mat.soft2007★ 93 cited

Freezing and Collapse of Flexible Polymers on Regular Lattices in Three Dimensions

Thomas Vogel, Michael Bachmann, Wolfhard Janke

We analyze the crystallization and collapse transition of a simple model for flexible polymer chains on simple cubic and face-centered cubic lattices by means of sophisticated chai…

cond-mat.soft2007★ 1 cited

Thermodynamics of Protein Folding from Coarse-Grained Models' Perspectives

Michael Bachmann, Wolfhard Janke

Folding and aggregation of proteins, the interaction between proteins and membranes, as well as the adsorption of organic soft matter to inorganic solid substrates belong to the mo…