19/09/2019
The Human Resources Strategy for Researchers

Post-doctoral position (M/F) : « Quantum Monte Carlo (QMC) for strongly correlated materials"


  • ORGANISATION/COMPANY
    CNRS
  • RESEARCH FIELD
    ChemistryComputational chemistry
    ChemistryPhysical chemistry
  • RESEARCHER PROFILE
    Recognised Researcher (R2)
  • APPLICATION DEADLINE
    30/10/2019 23:59 - Europe/Brussels
  • LOCATION
    France › TOULOUSE
  • TYPE OF CONTRACT
    Temporary
  • JOB STATUS
    Full-time
  • HOURS PER WEEK
    35
  • OFFER STARTING DATE
    02/12/2019

A first part of the study will be devoted to the implementation
of the one- and two-body density matrices in QMCPACK, a versatile and efficient
quantum Monte Carlo code for periodic solids.
In a second part, the Many-Body Effective Energy Theory (MEET) based on the use of
the n-body QMC density matrices will be implemented. As a first application,
the para- and antiferro- magnetic phases of NiO will be investigated.

The purpose of this project is to develop an original strategy for getting access to
photoemission spectra of strongly correlated materials. This will be achieved by
combining Many-Body Perturbation Theory (MBPT) based on Green's functions and quantum
Monte Carlo (QMC). As a first application, the paragmatic example
of NiO will be considered, a strongly correlated material
for which standard methods fail, in particular
Density Functional Theory, the reference approach of condensed matter.

The study will be realized at the lab. Chimie et Physique Quantiques (Toulouse).
However, regular visits at Argonne National Laboratory, (USA) where QMCPACK is partly
developed will be needed. These visits will be realized within the framework of an
international collaboration between the CNRS and Argonne Lab.

Eligibility criteria

A good experience in numerical simulations for quantum chemistry or condensed matter physics
is required.

Additional comments

Applications should contain a CV, a list of publications, as well as a motivation letter emphasizing the candidate's qualifications in the context of this application.

Web site for additional job details

Required Research Experiences

  • RESEARCH FIELD
    ChemistryPhysical chemistry
  • YEARS OF RESEARCH EXPERIENCE
    1 - 4
  • RESEARCH FIELD
    ChemistryComputational chemistry
  • YEARS OF RESEARCH EXPERIENCE
    1 - 4

Offer Requirements

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

Map Information

Job Work Location Personal Assistance locations
Work location(s)
1 position(s) available at
LABORATOIRE DE CHIMIE ET PHYSIQUE QUANTIQUE
France
TOULOUSE

EURAXESS offer ID: 447142
Posting organisation offer ID: 11874

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