Works matching IS 19516355 AND DT 2019 AND VI 227 AND IP 14

Results: 24

Particle methods in natural science and engineering.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1493, doi. 10.1140/epjst/e2019-900008-2

By:

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

Publication type:

Article

Vacancy defect centers in diamond: influence of surface termination.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1591, doi. 10.1140/epjst/e2019-800190-2

By:

Hertkorn, Jens;
Wrachtrup, Jörg;
Fyta, Maria

Publication type:

Article

MegaMol - a comprehensive prototyping framework for visualizations.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1817, doi. 10.1140/epjst/e2019-800167-5

By:

Gralka, Patrick;
Becher, Michael;
Braun, Matthias;
Frieß, Florian;
Müller, Christoph;
Rau, Tobias;
Schatz, Karsten;
Schulz, Christoph;
Krone, Michael;
Reina, Guido;
Ertl, Thomas

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1575, doi. 10.1140/epjst/e2019-800165-5

By:

Eisfeld, Eugen;
Trebin, Hans-Rainer;
Roth, Johannes

Publication type:

Article

Dynamics of the full-length yeast Hsp90 dimer.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1693, doi. 10.1140/epjst/e2019-800164-y

By:

Kandzia, Florian;
Zacharias, Martin

Publication type:

Article

ESPResSo 4.0 - an extensible software package for simulating soft matter systems.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1789, doi. 10.1140/epjst/e2019-800186-9

By:

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

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1639, doi. 10.1140/epjst/e2019-800189-3

By:

Weik, Florian;
Szuttor, Kai;
Landsgesell, Jonas;
Holm, Christian

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1615, doi. 10.1140/epjst/e2019-800181-3

By:

Bauerhenne, Bernd;
Garcia, Martin E.

Publication type:

Article

Molecular simulations of enzymes under non-natural conditions.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1631, doi. 10.1140/epjst/e2019-800174-4

By:

Ferrario, Valerio;
Pleiss, Jürgen

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1529, doi. 10.1140/epjst/e2019-800178-4

By:

Baz, Jörg;
Hansen, Niels;
Gross, Joachim

Publication type:

Article

A decade of particle-based scientific visualization.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1705, doi. 10.1140/epjst/e2019-800172-4

By:

Reina, Guido;
Gralka, Patrick;
Ertl, Thomas

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1665, doi. 10.1140/epjst/e2019-800163-5

By:

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

Publication type:

Article

Interactive visualization of biomolecules' dynamic and complex properties.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1725, doi. 10.1140/epjst/e2019-800162-y

By:

Schatz, Karsten;
Krone, Michael;
Pleiss, Jürgen;
Ertl, Thomas

Publication type:

Article

Adaptive grid implementation for parallel continuum mechanics methods in particle simulations.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1757, doi. 10.1140/epjst/e2019-800161-5

By:

Mehl, Miriam;
Lahnert, Michael

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1603, doi. 10.1140/epjst/e2019-800160-y

By:

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

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1779, doi. 10.1140/epjst/e2019-800159-0

By:

Hirschmann, Steffen;
Glass, Colin W.;
Pflüger, Dirk

Publication type:

Article

Multivariate visualization of particle data.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1741, doi. 10.1140/epjst/e2019-800158-6

By:

Zhou, Liang;
Weiskopf, Daniel

Publication type:

Article

Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1681, doi. 10.1140/epjst/e2019-800157-0

By:

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

Publication type:

Article

Precipitation, planar defects and dislocations in alloys: Simulations on Ni<sub>3</sub>Si and Ni<sub>3</sub>Al precipitates.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1559, doi. 10.1140/epjst/e2019-800154-6

By:

Hocker, Stephen;
Lipp, Hansjörg;
Schmauder, Siegfried

Publication type:

Article

Fully implicit time integration in truly incompressible SPH.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1501, doi. 10.1140/epjst/e2019-800152-6

By:

Hopp-Hirschler, Manuel;
Nieken, Ulrich

Publication type:

Article

Copper coordination in formylglycine generating enzymes.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1657, doi. 10.1140/epjst/e2019-800149-7

By:

Álvarez-Barcia, Sonia;
Kästner, Johannes

Publication type:

Article

Developing coarse-grained models for agglomerate growth.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1515, doi. 10.1140/epjst/e2018-800177-y

By:

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

Publication type:

Article

IMD - the ITAP molecular dynamics simulation package.

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1831, doi. 10.1140/epjst/e2019-800147-7

By:

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

Publication type:

Article

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

Published in:

European Physical Journal: Special Topics, 2019, v. 227, n. 14, p. 1547, doi. 10.1140/epjst/e2018-800171-y

By:

García, Edder J.;
Hasse, Hans

Publication type:

Article