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Postdoctoral position multi-scale modeling (No replies)

amoule
2 years ago
amoule 2 years ago

Seeking: Postdoctoral Research Scholar

Date needed: can start immediately

Position: Research – full time – NIH salary scale and 12 or 24 month contracts

Contact: [email protected]

 

Description: Prof. Adam Moulé from the department of Chemical Engineering at the University of California, Davis is seeking a post-doctoral researcher with theory experience. Our group works on measurement and modeling of dynamic disorder in organic semiconductors using inelastic neutron scattering (INS) to characterize charge and exciton delocalization and transport. We are also working on defect site distributions in MOF samples using INS. Our group is one of the top research groups world wide in INS spectroscopy and modeling.

We have developed a workflow for simulating the INS spectrum of crystalline materials (the phonon spectrum) using several different calculators. We use the phonon spectrum and crystal structure to simulate molecular dynamics on the ps time scale and relate the dynamics to materials properties such as charge mobility in organic semiconductors. All past Ph.D. and postdoctoral researchers have produced high impact publications and found well paying positions in desirable locations when they finished.

Our renewal grant focuses on predicting electron/phonon coupling and charge/exciton mobility for new materials. The new postdoc will work on developing methods to simulate phonons and E/P coupling in non-crystalline materials. The new postdoc will work on interpreting excited state INS spectra.

Requirements: PhD in Materials Science, Physics or Theoretical Chemistry. Significant experience in DFT (VASP preferred) and molecular dynamics modeling. 

Preferred Abilities: Experience in computational methods development and machine learning.

Soft Skills: Must present research results at laboratory meetings, professional meetings, and through publications. The candidate must be highly motivated, enthusiastic and able to work collaboratively with a team. The candidate must possess excellent communication skills in oral and written English. A postdoc in my group MUST write their own papers.




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Ab initio (from electronic structure) calculation of complex processes in materials