"Postdoctoral Fellow - Chemistry and Biochemistry"

Job Summary

The Department of Chemistry and Biochemistry in the College of Science and Mathematics at Augusta University invites applications for a Postdoctoral Fellow position in the field of Computational Chemistry, with a focus on Machine Learning. The successful candidate will contribute to a project aimed at developing machine learning methodologies to generate accurate electronic densities for large molecular systems. These ML-generated electron densities will then be utilized to explore and predict chemical reactivity in complex systems.

This role provides an opportunity to engage in cutting-edge research at the intersection of quantum chemistry, machine learning, and chemical reactivity studies, while collaborating with a dynamic and multidisciplinary team.

Responsibilities

The duties include, but are not limited to:

• Develop and implement machine learning models to generate electron densities for complex molecular systems.
• Integrate machine learning approaches with traditional quantum chemical methods to predict and analyze chemical reactivity.
• Perform computational simulations on high-performance computing clusters.
• Prepare manuscripts for publication in peer-reviewed journals.
• Lead research projects related to the application of machine learning in computational chemistry and present findings at national and international conferences.
• Mentor graduate and undergraduate students involved in the research group.
• Maintain detailed documentation of research activities and computational workflows.
• Contribute to the writing of grant proposals and reports to secure funding for ongoing and future projects.
• Perform other related duties as assigned.

Required Qualifications

Ph.D. in Chemistry, Physics, Computational Science, or a related field, with a focus on computational chemistry or machine learning.

Preferred Qualifications

Strong background in electronic structure theory, such as density functional theory (DFT) or wavefunction-based methods.

A track record of publishing high-quality research in peer-reviewed scientific journals.

Preferable experience with machine learning techniques and their applications in scientific research, particularly in chemistry or materials science.

Knowledge, Skills, & Abilities

KNOWLEDGE
Basic competency in Microsoft Word, PowerPoint, Excel and EndNote or willingness to learn. Proficiency in programming languages such as Python, C++, or Fortran, and familiarity with relevant computational chemistry software (e.g., Gaussian, Psi4, ORCA).

SKILLS
Good oral and written communication skills. Good organizational skills, detail-oriented and ability to prioritize tasks.

ABILITIES
Ability to maintain confidentiality. Ability to complete work and to meet deadlines. Ability to work independently and collaboratively within a research team.

Shift/Salary/Benefits

Shift: Days; Monday - Friday (Work outside of normal business hours may be required)
Salary to be commensurate with qualifications of the selected candidate within the established range (generally minimum-midpoint) of the position
Recruitment Period: Until Filled
Augusta University offers a variety of benefits to full-time benefits-eligible employees and some of our half-time (or more) employees.

Benefits that may be elected could include health insurance, dental insurance, life insurance, Teachers Retirement System (or Optional Retirement Plan), as well as earned vacation time, sick leave, and 13 paid holidays.

Also, our full-time employees who have been employed with us successfully for more than 6 months can be considered for the Tuition Assistance Program.