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30928BR

Job Title:

Postdoctoral Researcher

Department:

Chemical & Petroleum Engr

Primary Campus:

University of Kansas Lawrence Campus

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.

Req ID** **(Ex: 10567BR)** **:

30928BR

Disclaimer:

The University of Kansas prohibits discrimination on the basis of race, color, ethnicity, religion, sex, national origin, age, ancestry, disability, status as a veteran, sexual orientation, marital status, parental status, gender identity, gender expression, and genetic information in the university's programs and activities. Retaliation is also prohibited by university policy. The following person has been designated to handle inquiries regarding the nondiscrimination policies and is the Title IX coordinator for all KU and KUMC campuses: Associate Vice Chancellor for Civil Rights and Title IX, [email protected], Room 1082, Dole Human Development Center, 1000 Sunnyside Avenue, Lawrence, KS 66045, 785-864-6414, 711 TTY.

Work Schedule:

M-F 8-5

FLSA Status:

Professional

Conditions of Employment:

Limited Term

Contact Information to Applicants:

Yiling Nan

[email protected]

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.

Employee Class:

U-Unclassified Professional Staff

Advertised Salary Range:

$60,000; commensurate with experience

FTE:

1.0

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.

Position Overview:

Dr. 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 [email protected].

Reg/Temp:

Regular

Application Review Begins:

21-Jul-2025

Anticipated Start Date:

15-Sep-2025

Additional Candidate Instruction:

A 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.

Job Family:

Research-KUL

Work Location Assignment:

Hybrid

Position Requirements:

This position is primarily on-site, with the possibility of some remote work based on mutual agreement between the supervisor, department, and selected candidate.