Volume 227, Issue 14

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March 2019

Particle Methods in Natural Science and Engineering

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24 articles in this issue

Particle methods in natural science and engineering
Christian Holm
Thomas Ertl
Joachim Gross
Editorial 08 March 2019 Pages: 1493 - 1499
Part of 1 collection:

Particle Methods in Natural Science and Engineering
Fully implicit time integration in truly incompressible SPH
Manuel Hopp-Hirschler
Ulrich Nieken
Regular Article 08 March 2019 Pages: 1501 - 1514
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Particle Methods in Natural Science and Engineering
Developing coarse-grained models for agglomerate growth
Milena Smiljanic
Rudolf Weeber
Andreas Kronenburg
Regular Article 08 March 2019 Pages: 1515 - 1527
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Particle Methods in Natural Science and Engineering
On the use of transport properties to discriminate Mie-type molecular models for 1-propanol optimized against VLE data
Jörg Baz
Niels Hansen
Joachim Gross
Regular Article 08 March 2019 Pages: 1529 - 1545
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Particle Methods in Natural Science and Engineering
Studying equilibria of polymers in solution by direct molecular dynamics simulations: poly(N-isopropylacrylamide) in water as a test case
Edder J. García
Hans Hasse
Regular Article 08 March 2019 Pages: 1547 - 1558
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Particle Methods in Natural Science and Engineering
Precipitation, planar defects and dislocations in alloys: Simulations on Ni₃Si and Ni₃Al precipitates
Stephen Hocker
Hansjörg Lipp
Siegfried Schmauder
Regular Article 08 March 2019 Pages: 1559 - 1574
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Particle Methods in Natural Science and Engineering
A wide-range modeling approach for the thermal conductivity and dielectric function of solid and liquid aluminum
Eugen Eisfeld
Hans-Rainer Trebin
Johannes Roth
Regular Article 08 March 2019 Pages: 1575 - 1590
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Particle Methods in Natural Science and Engineering
Vacancy defect centers in diamond: influence of surface termination
Jens Hertkorn
Jörg Wrachtrup
Maria Fyta
Regular Article 08 March 2019 Pages: 1591 - 1601
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Particle Methods in Natural Science and Engineering
High-order Particle-In-Cell simulations of laser-plasma interaction
Stephen M. Copplestone
Marcel Pfeiffer
Claus-Dieter Munz
Regular Article 08 March 2019 Pages: 1603 - 1614
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Particle Methods in Natural Science and Engineering
Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperatures
Bernd Bauerhenne
Martin E. Garcia
Regular Article 08 March 2019 Pages: 1615 - 1629
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Particle Methods in Natural Science and Engineering
Molecular simulations of enzymes under non-natural conditions
Valerio Ferrario
Jürgen Pleiss
Regular Article 08 March 2019 Pages: 1631 - 1638
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Particle Methods in Natural Science and Engineering
Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back
Florian Weik
Kai Szuttor
Christian Holm
Regular Article 08 March 2019 Pages: 1639 - 1655
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Particle Methods in Natural Science and Engineering
Copper coordination in formylglycine generating enzymes
Sonia Álvarez-Barcia
Johannes Kästner
Regular Article 08 March 2019 Pages: 1657 - 1664
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Particle Methods in Natural Science and Engineering
Unfolding of DNA by co-solutes: insights from Kirkwood–Buff integrals and transfer free energies
Ewa Anna Oprzeska-Zingrebe
Miriam Kohagen
Jens Smiatek
Regular Article 08 March 2019 Pages: 1665 - 1679
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Particle Methods in Natural Science and Engineering
Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing
Frank C. Maier
Chandra S. Sarap
Maria Fyta
Regular Article 08 March 2019 Pages: 1681 - 1692
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Particle Methods in Natural Science and Engineering
Dynamics of the full-length yeast Hsp90 dimer
Florian Kandzia
Martin Zacharias
Regular Article 08 March 2019 Pages: 1693 - 1704
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Particle Methods in Natural Science and Engineering
A decade of particle-based scientific visualization
Guido Reina
Patrick Gralka
Thomas Ertl
Review 08 March 2019 Pages: 1705 - 1723
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Particle Methods in Natural Science and Engineering
Interactive visualization of biomolecules’ dynamic and complex properties
Karsten Schatz
Michael Krone
Thomas Ertl
Review 08 March 2019 Pages: 1725 - 1739
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Particle Methods in Natural Science and Engineering
Multivariate visualization of particle data
Liang Zhou
Daniel Weiskopf
Review 08 March 2019 Pages: 1741 - 1755
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Particle Methods in Natural Science and Engineering
Adaptive grid implementation for parallel continuum mechanics methods in particle simulations
Miriam Mehl
Michael Lahnert
Review 08 March 2019 Pages: 1757 - 1778
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Particle Methods in Natural Science and Engineering
Enabling unstructured domain decompositions for inhomogeneous short-range molecular dynamics in ESPResSo
Steffen Hirschmann
Colin W. Glass
Dirk Pflüger
Regular Article 08 March 2019 Pages: 1779 - 1788
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Particle Methods in Natural Science and Engineering
ESPResSo 4.0 – an extensible software package for simulating soft matter systems
Florian Weik
Rudolf Weeber
Christian Holm
Regular Article 08 March 2019 Pages: 1789 - 1816
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Particle Methods in Natural Science and Engineering
MegaMol – a comprehensive prototyping framework for visualizations
Patrick Gralka
Michael Becher
Thomas Ertl
Regular Article 08 March 2019 Pages: 1817 - 1829
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Particle Methods in Natural Science and Engineering
IMD – the ITAP molecular dynamics simulation package
Johannes Roth
Eugen Eisfeld
Hans-Rainer Trebin
Regular Article 08 March 2019 Pages: 1831 - 1836
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Particle Methods in Natural Science and Engineering

Volume 227, Issue 14

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