15/06/2019
The Human Resources Strategy for Researchers

Postdoctoral researcher in theoretical chemical physics


  • ORGANISATION/COMPANY
    CNRS
  • RESEARCH FIELD
    Physics
  • RESEARCHER PROFILE
    Recognised Researcher (R2)
  • APPLICATION DEADLINE
    26/07/2019 23:59 - Europe/Brussels
  • LOCATION
    France › ORSAY
  • TYPE OF CONTRACT
    Temporary
  • JOB STATUS
    Full-time
  • HOURS PER WEEK
    35
  • OFFER STARTING DATE
    02/09/2019

- Develop, modify and use of a parallel tempering computational code
- Implement and use of a biased Monte-Carlo method (e.g. Wang-Landau)
- Perform the data analysis
- Write scientific papers
- Present the scientific results

In the recent years, the interest in pure and hydrogenated carbon clusters has been motivated by the recent detection of C60 buckminsterfullerene in the interstellar medium (ISM) from its peculiar infrared emission bands. These bands accompany the so-called aromatic infrared bands, which trace polycyclic aromatic aliphatic mixed hydrocarbons. To understand better the formation mechanisms of cosmic fullerenes and to identify other possible forms of carbon clusters in the ISM, it is essential to characterize the possible structural diversity and the stability of hydrocarbon molecules and map these structures onto their spectroscopic signature.
The postdoctoral research will work within the ANR PACHYNO project. The objectives of this project are to use advanced computational tools such as replica exchange molecular dynamics and/or parallel tempering Monte-Carlo simulations with or without bias to efficiently explore the structural diversity of hydrocarbon over a large energy range and across a variety of structural families (fullerene, flakes, pretzels). The potential energy surface will be based on the REBO reactive force field from Brenner. This exploration has allowed us so far to construct a database of structure for pure carbon clusters. The postdoctoral researcher will complete our initial investigation by exploring a large variety of sizes and chemical composition and investigate the correlation between molecular structure and spectroscopic response.

The "Institut des Sciences Moléculaires d'Orsay" (ISMO - UMR 8214) is a joint CNRS/Université Paris Sud research unit specialized in three main scientific fields: molecular physics and its applications, nanosciences and physics for biology. Research at ISMO is based on two types of approaches: photophysics and imaging. ISMO is at the interface of many fields: astrophysics, atmospheric chemistry, biology, medicine...

Eligibility criteria

The candidate must have a PhD in physics or chemistry. He must be fluent in English and have good written and oral communication skills. He must have the ability to work as a team and independently. A significant experience in computational physics and/or computational chemistry is expected in particular via molecular dynamics and/or Monte-Carlo simulation methods. Strong programming skills are also required.

Web site for additional job details

Required Research Experiences

  • RESEARCH FIELD
    Physics
  • YEARS OF RESEARCH EXPERIENCE
    1 - 4

Offer Requirements

  • REQUIRED EDUCATION LEVEL
    Physics: PhD or equivalent
  • REQUIRED LANGUAGES
    FRENCH: Basic

Map Information

Job Work Location Personal Assistance locations
Work location(s)
1 position(s) available at
Institut des Sciences Moléculaires d'Orsay
France
ORSAY

EURAXESS offer ID: 417260
Posting organisation offer ID: 10128

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