Post Doctoral Fellow, Department of Chemical and Environmental Engineering

The University of Cincinnati, College of Engineering and Applied Science invites applications for a postdoctoral fellow with expertise in computational materials science projects focusing on the thermodynamic and mechanical stability of complex multifunctional oxide materials, zeolites and the design of active multitask highly active sites onto these supports media using cutting-edge computational techniques. The research will integrate ab initio-based modeling and DFT calculations with experimental data to enhance the understanding and optimization of the proposed materials as sorbents or possible catalysts. This position offers an opportunity to contribute to impactful research with tremendous potential for developments and upgrades for energy industries utilizing coals and other fossil fuels. The appointment is initially for one year, with the possibility of extension based on performance of the candidate, project outcomes, and availability of funds.

The incumbent will conduct research and/or analyze research data and ensure that all experiments are appropriately conducted following the policies and procedures of the University of Cincinnati.

• Conduct ab initio simulations to investigate the thermodynamic, dynamic, and thermal stability, as well as the catalytic properties of zeolites.
• Analyze the impact of external stress, phase transitions, and structural deformations on zeolite chemistry and properties.
• Collaborate with researchers to refine computational models and interpret complex results.
• Mentor junior research staff and assist in teaching computational techniques if needed.
• Prepare comprehensive data summaries, quarterly reports, manuscripts, and presentations to communicate research findings.
• Contribute to manuscript writing for publication in high-impact scientific journals.
• Assist in grant writing efforts and support funding initiatives.
• Perform related duties as needed by the department. This job description may be subject to change based on evolving project needs.

At the time of hiring, a PhD in Solid state Physics, Theoretical Chemistry, Computational Materials Science, or related fields.

• Strong foundation in Quantum Mechanics and Theoretical Solid-State Physics.
• Extensive experience in ab initio, atomistic simulations focused on materials engineering and materials science challenges.
• Proven experience in integrating continuum mechanics with ab initio methods.
• Proficiency in software such as VASP, Quantum ESPRESSO, Critic2 and Gibbs2.
• Experience in high-performance computing and parallel processing.

• Ability to collaborate effectively with local, national, and international research partners.
• Experience with the calculation of phase transitions in materials is highly advantageous.
• Strong written and verbal communication skills for the preparation of reports, publications, and presentations.
• Prior mentoring or teaching experience is a plus.

Interested candidates should upload a detailed CV demonstrating education/training, qualifications and list of publications.