16/07/2021

PhD student – scholarship holder "Ab initio investigations of Hund’s Rule breaking organic molecules".

This job offer has expired


  • ORGANISATION/COMPANY
    Institute of Physics, Polish Academy of Sciences, Warsaw
  • RESEARCH FIELD
    Physics
  • RESEARCHER PROFILE
    First Stage Researcher (R1)
  • APPLICATION DEADLINE
    18/08/2021 16:00 - Europe/Brussels
  • LOCATION
    Poland › 02-668 Warsaw
  • TYPE OF CONTRACT
    Temporary
  • JOB STATUS
    Full-time
  • HOURS PER WEEK
    40
  • OFFER STARTING DATE
    01/10/2021
  • REFERENCE NUMBER
    Job ID: #JOB31/2021

OFFER DESCRIPTION

Job Summary:

Ab initio investigations of Hund’s Rule breaking organic molecules

Job Description:

The main scientific goal of the project bases on extensive ab initio computational explorations of novel, so-far unknown, organic compounds exhibiting the S1/T1 inversion in order to understand fundamental mechanisms and to determine electronic and nuclear factors that govern this unexpected and rare phenomenon. This is almost completely unexplored field so far and the research will need the combination of chemical intuition in designing such systems with extensive computational work. Several wavefunction- and DFT- based methods of electronic structure theory such as MP2, ADC(2), CC2, CASSCF, UDFT, and TDDFT will be used for determination of molecular properties in the ground and in the lowest electronically excited states of theoretically designed polyatomic molecules.

The technical aim of the project is related to future OLED application of these systems, and will involve computational optimization of the S1→S0 fluorescence intensity and wavelength of theoretically designed molecules with the restriction of a negative singlet-triplet energy gap.

 

Requirements:

- basic knowledge of wavefunction- and DFT- based methods of electronic structure theory such as MP2, CC2, CASSCF, and TDDFT.

- some experience in running quantumchemical program packages like Gaussian, Turbomole or Molpro.

- proficiency in English.

- Master’s degree in physics (or an equivalent that qualifies one for PhD studies in physics in the country of issue).

- To be employed, the candidate must be accepted into the PhD school in which the Institute of Physics participates. Applications for the position are through recruitment to the School, online at warsaw4phd.eu.

More Information

Selection process

Application deadline: 18.08.2021 Later applications will not be considered.

Required materials:

• Scientific CV

• Cover letter

• Scan of MsC diploma or equivalent (or an explanation of when one is expected)

• Academic record (for finalized semesters)

• Recommended: A recommendation letter by an academic, or their contact email.

 

All materials should be submitted in electronic form by application to the PhD school warsaw4phd.eu, choosing the project: "Ab initio investigations of Hund’s Rule breaking organic molecules". The application system will be active from 4 August 2021.

Results regarding the position will be made available by 18 September 2021.

Additional comments

Main research field: Physics

Sub Research Field: molecular photophysics

Career Stage: Early stage researcher or 0-4 yrs (Post-graduate)

Research Profile (details): First Stage Researcher (R1)

Type of Contract: Fixed term (36 months)

Status: Full-time

Salary: grant funding of 5000 PLN per month, before subtracting obligatory employer and employee social security contributions (~15%).

Contact

More information can be obtained from Prof. Andrzej Sobolewski

sobola@ifpan.edu.pl)

http://www.ifpan.edu.pl/ON-2/on21.html

Please make contact.

Web site for additional job details

Work location(s)
1 position(s) available at
Institute of Physics, Polish Academy of Sciences, Warsaw
Poland
02-668 Warsaw
al. Lotników 32/46

EURAXESS offer ID: 665300

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