EPJ Special Topics (EPJ ST)

Open Access

Editorial

Particle methods in natural science and engineering

Christian Holm, Thomas Ertl, Siegfried Schmauder, Johannes Kästner and Joachim Gross

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-900008-2

Regular Article

Fully implicit time integration in truly incompressible SPH

Manuel Hopp-Hirschler and Ulrich Nieken

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800152-6

Regular Article

Developing coarse-grained models for agglomerate growth

Milena Smiljanic, Rudolf Weeber, Dirk Pflüger, Christian Holm and Andreas Kronenburg

Published online: 08 March 2019

DOI: 10.1140/epjst/e2018-800177-y

Regular Article

On the use of transport properties to discriminate Mie-type molecular models for 1-propanol optimized against VLE data

Jörg Baz, Niels Hansen and Joachim Gross

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800178-4

Regular Article

Studying equilibria of polymers in solution by direct molecular dynamics simulations: poly(N-isopropylacrylamide) in water as a test case

Edder J. García and Hans Hasse

Published online: 08 March 2019

DOI: 10.1140/epjst/e2018-800171-y

Regular Article

Precipitation, planar defects and dislocations in alloys: Simulations on Ni₃Si and Ni₃Al precipitates

Stephen Hocker, Hansjörg Lipp and Siegfried Schmauder

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800154-6

Regular Article

A wide-range modeling approach for the thermal conductivity and dielectric function of solid and liquid aluminum

Eugen Eisfeldeugen, Hans-Rainer Trebin and Johannes Roth

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800165-5

Regular Article

Vacancy defect centers in diamond: influence of surface termination

Jens Hertkorn, Jörg Wrachtrup and Maria Fyta

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800190-2

Regular Article

High-order Particle-In-Cell simulations of laser-plasma interaction

Stephen M. Copplestone, Marcel Pfeiffer, Stefanos Fasoulas and Claus-Dieter Munz

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800160-y

Regular Article

Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperatures

Bernd Bauerhenne and Martin E. Garcia

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800181-3

Regular Article

Molecular simulations of enzymes under non-natural conditions

Valerio Ferrario and Jürgen Pleiss

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800174-4

Regular Article

Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back

Florian Weik, Kai Szuttor, Jonas Landsgesell and Christian Holm

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800189-3

Regular Article

Copper coordination in formylglycine generating enzymes

Sonia Álvarez-Barcia and Johannes Kästner

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800149-7

Regular Article

Unfolding of DNA by co-solutes: insights from Kirkwood–Buff integrals and transfer free energies

Ewa Anna Oprzeska-Zingrebe, Miriam Kohagen, Johannes Kästner and Jens Smiatek

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800163-5

Regular Article

Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing

Frank C. Maier, Chandra S. Sarap, Maofeng Dou, Ganesh Sivaraman and Maria Fyta

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800157-0

Regular Article

Dynamics of the full-length yeast Hsp90 dimer

Florian Kandzia and Martin Zacharias

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800164-y

Review

A decade of particle-based scientific visualization

Guido Reina, Patrick Gralka and Thomas Ertl

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800172-4

Review

Interactive visualization of biomolecules’ dynamic and complex properties - State of the art and project review

Karsten Schatz, Michael Krone, Jürgen Pleiss and Thomas Ertl

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800162-y

Review

Multivariate visualization of particle data

Liang Zhou and Daniel Weiskopf

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800158-6

Review

Adaptive grid implementation for parallel continuum mechanics methods in particle simulations

Miriam Mehl and Michael Lahnert

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800161-5

Regular Article

Enabling unstructured domain decompositions for inhomogeneous short-range molecular dynamics in ESPResSo

Steffen Hirschmann, Colin W. Glass and Dirk Pflüger

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800159-0

Regular Article

ESPResSo 4.0 – an extensible software package for simulating soft matter systems

Florian Weik, Rudolf Weeber, Kai Szuttor, Konrad Breitsprecher, Joost de Graaf, Michael Kuron, Jonas Landsgesell, Henri Menke, David Sean and Christian Holm

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800186-9

Regular Article

MegaMol – a comprehensive prototyping framework for visualizations

Patrick Gralka, Michael Becher, Matthias Braun, Florian Frieß, Christoph Müller, Tobias Rau, Karsten Schatz, Christoph Schulz, Michael Krone et al. (2 more)

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800167-5

Regular Article

IMD – the ITAP molecular dynamics simulation package

Johannes Roth, Eugen Eisfeld, Dominic Klein, Stephen Hocker, Hansjörg Lipp and Hans-Rainer Trebin

Published online: 08 March 2019

DOI: 10.1140/epjst/e2019-800147-7

EPJ

The European Physical Journal Special Topics

Particle Methods in Natural Science and Engineering

Particle methods in natural science and engineering

Fully implicit time integration in truly incompressible SPH

Developing coarse-grained models for agglomerate growth

On the use of transport properties to discriminate Mie-type molecular models for 1-propanol optimized against VLE data

Studying equilibria of polymers in solution by direct molecular dynamics simulations: poly(N-isopropylacrylamide) in water as a test case

Precipitation, planar defects and dislocations in alloys: Simulations on Ni₃Si and Ni₃Al precipitates

A wide-range modeling approach for the thermal conductivity and dielectric function of solid and liquid aluminum

Vacancy defect centers in diamond: influence of surface termination

High-order Particle-In-Cell simulations of laser-plasma interaction

Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperatures

Molecular simulations of enzymes under non-natural conditions

Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back

Copper coordination in formylglycine generating enzymes

Unfolding of DNA by co-solutes: insights from Kirkwood–Buff integrals and transfer free energies

Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing

Dynamics of the full-length yeast Hsp90 dimer

A decade of particle-based scientific visualization

Interactive visualization of biomolecules’ dynamic and complex properties - State of the art and project review

Multivariate visualization of particle data

Adaptive grid implementation for parallel continuum mechanics methods in particle simulations

Enabling unstructured domain decompositions for inhomogeneous short-range molecular dynamics in ESPResSo

ESPResSo 4.0 – an extensible software package for simulating soft matter systems

MegaMol – a comprehensive prototyping framework for visualizations

IMD – the ITAP molecular dynamics simulation package

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