Job Description

Position OverviewDr. Yiling Nan, Assistant Professor in the Department of Chemical & Petroleum Engineering at the University of Kansas, is seeking a highly motivated Postdoctoral Researcher to join her research group. This is a full-time, on-site position with an initial one-year appointment and the possibility of renewal, contingent upon funding availability.

The successful candidate will support a broader research initiative focused on computational chemistry for sustainable energy solutions , including the development and application of Drude polarizable force fields . Areas of application include lithium-ion batteries, high-salinity water treatment , and separations .

The researcher will employ molecular dynamics (MD) and quantum mechanical (QM) methods to develop and validate polarizable force field models. Responsibilities will include both macroscopic property analysis (e.g., density, diffusion coefficients, ion conductivity, interfacial tension) and atomistic-level investigation of solvation structures and interfacial alignment.

Additional responsibilities include developing computational tools for force field parameterization and simulation workflows, collaborating with research team members on data analysis, and disseminating findings through scientific publications and conference presentations.

Ideal candidates will have strong experience in MD simulations, QM chemistry, and a demonstrated commitment to research excellence. For further details about the research scope and expectations, please contact Dr. Yiling Nan at yiling.nan@ku.edu. Job Description 65% Research :
Conduct advanced computational research in the area of computational chemistry for sustainable energy systems, with a particular emphasis on the development and application of Drude polarizable force fields. The postdoctoral researcher will be responsible for performing quantum mechanical (QM) calculations, molecular dynamics (MD) simulations, and force field parameterization to support ongoing interdisciplinary research.

25% Reporting :
Prepare and present detailed research updates on simulation progress, model validation, and methodological developments. Responsibilities include writing formal progress reports for internal use and external collaborators, contributing to group meetings involving faculty, students, and research partners, and presenting findings at national and international conferences (e.g., ACS, AIChE). The researcher will also contribute to the preparation of peer-reviewed publications in high-impact journals and assist with proposal development for external funding opportunities.


10% Mentorship :
Assist in mentoring graduate and undergraduate students by providing guidance on simulation setup, data analysis, and interpretation of computational results. The postdoctoral researcher will help train students in the use of MD and QM software tools, best practices for coding and reproducibility, and fundamental concepts in polarizable force fields.
Position RequirementsThis position is primarily on-site, with the possibility of some remote work based on mutual agreement between the supervisor, department, and selected candidate.
Required Qualifications

1. Ph.D. in computational chemistry or closely related field.
2. Demonstrated experience with MD and QM simulation tools and workflows as evidenced by application materials.
3. Experience in scripting or coding for data analysis as evidenced by application materials.
4. Demonstrated history of scholarly works (e.g., peer-reviewed publications) as evidenced by application materials.

Preferred Qualifications

1. Experience with simulations of battery materials or separation processes, as evidenced by application materials.
2. Experience in force field development, as evidenced by application materials.
3. Experience with polarizable force fields, particularly the Drude model, as evidenced by application materials.

Additional Candidate InstructionsA complete online application includes:

• Cover letter describing how the required and preferred qualifications are met
• CV/Resume
• Three professional references

Application review begins Monday July 21 and will continue until a qualified applicant is selected. Contact Information to ApplicantsYiling Nan
yiling.nan@ku.eduAdvertised Salary Range$60,000; commensurate with experienceApplication Review BeginsMonday July 21, 2025Anticipated Start DateMonday September 15, 2025 Apply to Job
The University of Kansas

Job Tags

Full time,

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