Post-Doctoral in Theoretical Chemistry: Khalifa University invites applications for a project-based post-doctoral research fellow position in Theoretical Chemistry. This position, with a duration from 01/01/2024 to 28/02/2026, is part of a research project supervised by Prof. Sharmarke Mohamed within the Advanced Materials Chemistry Center (AMCC). The research focuses on computational modeling, DFT simulations, machine learning, computational crystal structure prediction, mechanically responsive crystals, piezoelectric materials, and energy storage materials.
Designation: Post-Doctoral Research Fellow
Research Area: Theoretical Chemistry
Location: Khalifa University, Abu Dhabi, UAE
Eligibility/Qualification: The ideal candidate should possess the following qualifications:
- Ph.D. in computational chemistry, natural sciences, physics, chemical engineering, or a related field.
- Proficiency in performing periodic density functional theory (DFT) calculations of molecular crystals using VASP, CASTEP, or both.
- Competence in the Python programming language.
- Familiarity with working in a High-Performance Computing (HPC) environment.
- Experience in applying supervised and unsupervised machine learning techniques for materials discovery.
- Strong scientific writing and oral communication skills.
- Ability to work effectively under tight deadlines.
Job Description:
Post-Doctoral Research Fellow in Theoretical Chemistry (PDRF-SIM24)
The post-doctoral research fellow will collaborate with a multidisciplinary team of experimental chemists, mechanical engineers, and crystallographers. The role involves developing computational structure prediction (CSP) workflows to support the experimental discovery of new molecular crystalline materials. These materials have potential applications in energy storage and solar cell devices. The candidate will perform DFT calculations, develop property predictions, and establish structure-property correlations. The goal is to create a comprehensive workflow for evaluating the optoelectronic and energy storage properties of candidate solid materials to support ongoing research efforts.
As part of the project, the researcher will have access to state-of-the-art computational modeling resources, including a well-equipped HPC and various solid-state modeling packages and codes. The position offers excellent benefits and opportunities for career progression based on outstanding performance during the project.
How to Apply: Interested candidates who meet the qualifications are requested to submit three documents to Prof. Sharmarke Mohamed:
- Full CV
- Cover Letter
- Research Statement
Please email these documents to sharmarke.mohamed@ku.ac.ae with the subject line “PDRF-SIM24.” The position will remain open until the suitable candidate is selected.
Last Date for Apply: Until position filled.
