Total lance un avis de stage – Scripting à des fins chimiques, Belgique

Description du poste

Scripting for chemical purposes
Molecular modelling is more and more used to accelerate the development in the catalysis field. The simulation software is possessing the indispensable features for chemical modelling, but to boost the preparation of input structures and files, as well as the analysis of outcome results, additional scripts are needed.
Atomic Simulation Environment is a python library designed for setting up, manipulating, running, visualizing and analyzing molecular simulations. It allows to handle input and output files of molecular modelling software like VASP, to create starting heterogeneous structures for simulations, and also possesses modules dedicated to Density Functional Theory simulations and reaction thermochemistry. The purpose of the internship will be to create python scripts allowing easy access to the above-mentioned features for everyday user of molecular simulation tools.

Internship duration: 3-5 months

Profil recherché

The potential candidate should:

• Is a MSc student of chemistry or similar specialization (e.g. chemical engineering, organic or physical chemistry), possibly with academic knowledge of catalysis and theoretical chemistry
• be knowledgeable in (the basics) of python programing
• possess basic knowledge of chemistry (and possibly catalysis)
• be enthusiastic, methodical and creative
• communicate in English: both good writing and speaking skills

Réfèrence

36057BR

Métier

Resp Générales Rch et Dév

Région, département, localité

Région wallonne

Type d’emploi

Stage conventionné

Durée du contrat

3

Unité de temps

Mois

Niveau d’expérience requis

Moins de 3 ans

Branche

Refining & Chemicals

A propos de nous/Profil de l’entreprise

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