Re: Self Introduction: Sébastien Le Roux

[Erol Keskin]

Welcome Sébastien :)

On Wed, 28 Sept 2022 at 18:30, Sébastien Le Roux <
sebastien.leroux(a)ipcms.unistra.fr&gt; wrote:

>  Dear all,
>  my name is Sébastien Le Roux, I just join the mailing list today.
>  I am a computational material scientist,
>  my work can be separated in two parts: studying the physico-chemical
>  properties
>  of materials using computational/theoretical methods, and developing tools
>  to help
>  scientists in this field of expertise.
>  I am the author of several open source programs, so far none being
>  packaged
>  by Fedora, but I recently released a new software named 'Atomes' and I
>  would
>  like to propose Atomes for packaging, and then providing that it can be
>  packaged
>  maintain it.
>
>  Atomes is a Free (Open Source) cross-platform toolbox developed to
>  analyze,
>  to visualize and to create/edit three-dimensional atomistic models.
>  Among the possibilities offered by Atomes:
>
>     - Analysis of 3D atomistic model: neutron and x-rays diffraction,
>     rings statistics, chain statistics, bond order, MSD ...
>     - Visualization: measures, coordination polyhedras, advanced coloring,
>     advanced design
>     - Edition: molecular library, crystal builder, cell edition, surface
>     creation and passivation ...
>     - Molecular Dynamics input preparation systems:
>        - Classical MD: DLPOLY
>        <https://www.scd.stfc.ac.uk/Pages/DL_POLY.aspx> and LAMMPS
>        <https://lammps.sandia.gov/>
>        - ab-initio MD: CPMD <http://www.cpmd.org> and CP2K
>        <http://cp2k.berlios.de>
>        - QM-MM MD: CPMD <http://www.cpmd.org> and CP2K
>        <http://cp2k.berlios.de>
>
>
>  More info about me here: https://www.ipcms.fr/sebastien-le-roux/
>  More information about Atomes here: https://atomes.ipcms.fr/
>
>  So hello world ;-)
>
>  Best regards.
>
>  Sébastien Le Roux
>
>  PS: using Fedora since FC2
>
>  --
>  ===========================================================
>  Dr. Sébastien Le Roux
>  Ingénieur de Recherche CNRS	
>  Institut de Physique et Chimie des Matériaux de Strasbourg
>  Département des Matériaux Organiques
>  23, rue du Loess
>  BP 43
>  F-67034 Strasbourg Cedex 2, France
>  E-mail: sebastien.leroux(a)ipcms.unistra.fr
>  Webpage: https://www.ipcms.fr/sebastien-le-roux/
>  ATOMES project: https://atomes.ipcms.fr/
>  RINGS project: http://rings-code.sourceforge.net/
>  ISAACS project: http://isaacs.sourceforge.net/
>  Fax:   [phone]
>  Phone: [phone]
>  ===========================================================
>
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