| Issue |
2014
SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo
|
|
|---|---|---|
| Article Number | 01313 | |
| Number of page(s) | 2 | |
| Section | 1. Computational Nuclear Applications: c. Material Science and Physical Chemistry | |
| DOI | https://doi.org/10.1051/snamc/201401313 | |
| Published online | 06 June 2014 | |
SNA + MC 2013, 01313 (2014)
How to build accurate macroscopic models of actinide ions in aqueous solvents?
1 Université Lille 1 (Sciences et Technologies), Laboratoire PhLAM, CNRS UMR 8523, CERLA, CNRS FR 2416, Bât P5, F-59655 Villeneuve d’Ascq Cedex, France
2 Laboratoire de Chimie du Vivant, Service d’ingénierie moléculaire des protéines, Institut de biologie et de technologies de Saclay, CEA Saclay, F-91191 Gif sur Yvette Cedex, France
3 Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT), Postfach 3640, D-76021 Karlsruhe, Germany.
This article has no abstract.
Key words: Force fields / radionucleides / molecular dynamics / many-body effects / supercomputers / parallel
© Owned by the authors, published by EDP Sciences, 2014
First page of the article
