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Postdoctoral Associate in AI-Driven Discovery for Materials and Molecules

3 months ago


Gainesville, United States University of Florida Full time

Job Description:

The Mingjie Liu Research Group in the Department of Chemistry at the University of Florida (UF), Gainesville, FL invites applications for one Postdoctoral Associate in AI-Driven Discovery for Materials and Molecules. The successful candidates will work under the supervision of Prof. Mingjie Liu, focusing on the development and implementation in advanced machine learning and deep learning models to predict new materials and molecule properties. This one-year appointment is renewable based on performance and funding availability. Candidate will conduct high-throughput computational simulations using MLIP, DFT, TD-DFT, QM/MM, kinetic Monte Carlo, and MD to study material and molecular properties. Utilize generative models for the design and discovery of novel compounds. Conduct high-throughput computational simulations for materials science and computational chemistry. Collaborate with an interdisciplinary team to design experiments and analyze data. Publish scientific papers and present findings at international conferences.

UF is the state’s oldest, largest, and most comprehensive land grant university with an enrollment of over , students and was ranked 6th in the country among public universities (US News and World Report 3 rankings), and 1st among public institutions in the Wall Street Journal 3 survey. UF is located in Gainesville, a city of approximately , residents in North-Central Florida, miles from the Gulf of Mexico, and miles from the Atlantic Ocean, and within a 2-hour drive to large metropolitan areas (Orlando, Tampa, Jacksonville). The beautiful climate and extensive nearby parks and recreational areas afford year-round outdoor activities, including hiking, biking, and nature photography. UF’s large college sports programs, museums, and performing arts center support a range of activities and cultural events for residents to enjoy. Alachua County schools are highly rated and offer a variety of programs including magnet schools and an international baccalaureate program. Learn more about what Gainesville has to offer at .

Expected Salary:

The salary is competitive and commensurate with qualifications and experience, and the compensation includes a full benefits package.

Minimum Requirements:

PhD in Materials Science, Chemistry, Computational Biology, Computer Science, or a related field.

Strong background in machine learning, deep learning, and generative models applied to scientific problems.

Experience in computational chemistry, materials science, computational electrochemistry, or polymer science.

Preferred Qualifications:

Proficiency in programming languages such as Python and familiarity with ML frameworks (e.g., TensorFlow, PyTorch).

Excellent written and verbal communication skills.