Postdoctoral Researcher on Computational Chemistry (Nonadiabatic Dynamics)

Job Description

A postdoctoral research scientist position is available in Dr. Jian-Ge Zhou’s physical chemistry computational lab at Jackson State University (JSU) in Jackson, MS, USA. This is the one and a half years (18 months) appointment with the possibility of renewal, contingent upon satisfactory performance and the availability of funding. This position starts no later than January 1, 2027.

This postdoctoral position focuses on computational physical chemistry to develop and implement multireference electronic structure, time-dependent density functional theory (TDDFT), nonadiabatic molecular dynamics and machine learning methods for optoelectronic perovskite materials, e.g., metal halide perovskites. The project will focus on the trajectory surface hopping (TSH) in light irradiation interfaced with the TDDFT in the framework of the pseudopotentials and machine learning to examine various optoelectronic properties under light irradiation in perovskites. The successful candidate will work on method development and implementation in the open source software packages CP2K, OpenMolcas, SHARC, PyTorch and so on. Research objectives include interfacing CP2K with SHARC to simulate the nonadiabatic processes in the perovskite structures with the periodic boundary condition and pseudopotentials, developing the neural network model integrated with the surface hopping trajectory under light soaking.

The position offers training in computational photochemistry, electronic structure theory, open-source software development, neural network and nonadiabatic molecular dynamics. The postdoctoral researcher will contribute to publications, software development, conference presentations, and mentoring of students.

This postdoc position is also listed in Dr. Zhou’s home page  https://sites.google.com/a/jsums.edu/jgzhou/job-vacancy?authuser=0.

Essential Functions & Duties                                                        

Familiar with CP2K, OpenMolcas (Molcas), SHARC, Newton-X, PyTorch, CASSCF, TDDFT, TSH, neural network.

Programming experience in Fortran, Python, C/C languages.

Prepare and publish findings in peer-reviewed scientific journals and present research at national and international conferences.

Required Experience & Education

PhD in Computational Chemistry or related field.

Experience in machine learning, nonadiabatic dynamics, CASSCF, CASPT2 and  TDDFT.

Good written and oral communication skills.

Annual salary: $60,000

In addition to base salary, employees also receive a comprehensive benefits package. Also, the living cost in the greater Jackson area is very low compared with the national average cost.

Application Materials and Submission

Applicants should combine 1) the cover letter describing research interests and relevant experience, 2) curriculum vitae, 3) list of publications and 4) contact information for three references into a single pdf file and send it to jiange.zhou@jsums.edu.

Dr. Zhou’s lab accepts applications on a rolling basis - applications will be reviewed as they are received, and we encourage you to submit your application as soon as possible to ensure full consideration. While we will continue to review applications until the position is filled, and early applicants may have an advantage in the selection process.

EEO Statement

JSU provides equal employment opportunities to all employees and applicants for employment and prohibits discrimination and harassment of any type without regard to race, color, religion, age, sex, national origin, disability status, genetics, protected veteran status, sexual orientation, gender identity or expression, or any other characteristic protected by federal, state or local laws.