Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperatures (English)
- New search for: Bauerhenne, Bernd
- New search for: Garcia, Martin E.
- New search for: Bauerhenne, Bernd
- New search for: Garcia, Martin E.
In:
The European Physical Journal Special Topics
;
227
, 14
;
1615-1629
;
2019
- Article (Journal) / Electronic Resource
-
Title:Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperatures
-
Contributors:Bauerhenne, Bernd ( author ) / Garcia, Martin E. ( author )
-
Published in:The European Physical Journal Special Topics ; 227, 14 ; 1615-1629
-
Publisher:
- New search for: Springer Berlin Heidelberg
-
Place of publication:Berlin/Heidelberg
-
Publication date:2019-03-01
-
Size:15 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 227, Issue 14
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1493
-
Particle methods in natural science and engineeringHolm, Christian / Ertl, Thomas / Schmauder, Siegfried / Kästner, Johannes / Gross, Joachim et al. | 2019
- 1501
-
Fully implicit time integration in truly incompressible SPHHopp-Hirschler, Manuel / Nieken, Ulrich et al. | 2019
- 1515
-
Developing coarse-grained models for agglomerate growthSmiljanic, Milena / Weeber, Rudolf / Pflüger, Dirk / Holm, Christian / Kronenburg, Andreas et al. | 2019
- 1529
-
On the use of transport properties to discriminate Mie-type molecular models for 1-propanol optimized against VLE dataBaz, Jörg / Hansen, Niels / Gross, Joachim et al. | 2019
- 1547
-
Studying equilibria of polymers in solution by direct molecular dynamics simulations: poly(N-isopropylacrylamide) in water as a test caseGarcía, Edder J. / Hasse, Hans et al. | 2019
- 1559
-
Precipitation, planar defects and dislocations in alloys: Simulations on Ni3Si and Ni3Al precipitatesHocker, Stephen / Lipp, Hansjörg / Schmauder, Siegfried et al. | 2019
- 1575
-
A wide-range modeling approach for the thermal conductivity and dielectric function of solid and liquid aluminumEisfeld, Eugen / Trebin, Hans-Rainer / Roth, Johannes et al. | 2019
- 1591
-
Vacancy defect centers in diamond: influence of surface terminationHertkorn, Jens / Wrachtrup, Jörg / Fyta, Maria et al. | 2019
- 1603
-
High-order Particle-In-Cell simulations of laser-plasma interactionCopplestone, Stephen M. / Pfeiffer, Marcel / Fasoulas, Stefanos / Munz, Claus-Dieter et al. | 2019
- 1615
-
Performance of state-of-the-art force fields for atomistic simulations of silicon at high electronic temperaturesBauerhenne, Bernd / Garcia, Martin E. et al. | 2019
- 1631
-
Molecular simulations of enzymes under non-natural conditionsFerrario, Valerio / Pleiss, Jürgen et al. | 2019
- 1639
-
Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and backWeik, Florian / Szuttor, Kai / Landsgesell, Jonas / Holm, Christian et al. | 2019
- 1657
-
Copper coordination in formylglycine generating enzymesÁlvarez-Barcia, Sonia / Kästner, Johannes et al. | 2019
- 1665
-
Unfolding of DNA by co-solutes: insights from Kirkwood–Buff integrals and transfer free energiesOprzeska-Zingrebe, Ewa Anna / Kohagen, Miriam / Kästner, Johannes / Smiatek, Jens et al. | 2019
- 1681
-
Diamondoid-functionalized nanogaps: from small molecules to electronic biosensingMaier, Frank C. / Sarap, Chandra S. / Dou, Maofeng / Sivaraman, Ganesh / Fyta, Maria et al. | 2019
- 1693
-
Dynamics of the full-length yeast Hsp90 dimerKandzia, Florian / Zacharias, Martin et al. | 2019
- 1705
-
A decade of particle-based scientific visualizationReina, Guido / Gralka, Patrick / Ertl, Thomas et al. | 2019
- 1725
-
Interactive visualization of biomolecules’ dynamic and complex propertiesSchatz, Karsten / Krone, Michael / Pleiss, Jürgen / Ertl, Thomas et al. | 2019
- 1741
-
Multivariate visualization of particle dataZhou, Liang / Weiskopf, Daniel et al. | 2019
- 1757
-
Adaptive grid implementation for parallel continuum mechanics methods in particle simulationsMehl, Miriam / Lahnert, Michael et al. | 2019
- 1779
-
Enabling unstructured domain decompositions for inhomogeneous short-range molecular dynamics in ESPResSoHirschmann, Steffen / Glass, Colin W. / Pflüger, Dirk et al. | 2019
- 1789
-
ESPResSo 4.0 – an extensible software package for simulating soft matter systemsWeik, Florian / Weeber, Rudolf / Szuttor, Kai / Breitsprecher, Konrad / de Graaf, Joost / Kuron, Michael / Landsgesell, Jonas / Menke, Henri / Sean, David / Holm, Christian et al. | 2019
- 1817
-
MegaMol – a comprehensive prototyping framework for visualizationsGralka, Patrick / Becher, Michael / Braun, Matthias / Frieß, Florian / Müller, Christoph / Rau, Tobias / Schatz, Karsten / Schulz, Christoph / Krone, Michael / Reina, Guido et al. | 2019
- 1831
-
IMD – the ITAP molecular dynamics simulation packageRoth, Johannes / Eisfeld, Eugen / Klein, Dominic / Hocker, Stephen / Lipp, Hansjörg / Trebin, Hans-Rainer et al. | 2019