Postdoc in Materials Design & AI-Driven Catalysis

State University of New York at Buffalo; New York (NY); On-site; USD 54,000 - 66,000; Full time

Job summary

State University of New York at Buffalo invites applications for a full-time Postdoctoral Associate in the Peng Research Group to advance AI-enabled materials design, atomistic simulation, computational catalysis, and data-driven discovery.

The successful candidate will tackle DOE Genesis Mission research, contribute to machine learning workflows, and collaborate across disciplines, institutions, and publications while developing reproducible computational pipelines.

Qualifications

• Doctoral degree in materials science and engineering, chemical engineering, chemistry, physics, computational science, or a closely related field.
• Demonstrated research experience with density functional theory or closely related first-principles atomistic simulation methods.
• Demonstrated research experience applying artificial intelligence or machine learning to scientific or engineering problems, including development, training, validation, or evaluation of machine-learning models.
• Proficiency in Python and experience working in Linux and high-performance-computing environments.
• Experience developing or using automated and reproducible computational research workflows.
• Ability to conduct computational research independently and analyze and interpret research data.
• Strong written and oral communication skills and the ability to work effectively in a collaborative research environment.

Responsibilities

• Conduct research at intersection of scientific AI, atomistic simulation, computational catalysis, and data-driven materials discovery.
• Develop reproducible computational workflows and pipelines.
• Collaborate with researchers across multiple institutions and disciplines; communicate findings through publications, presentations, software, and datasets.

Skills

Python

Linux

HPC

Communication

Collaboration

Machine Learning

Research

Education

PhD in materials science and engineering or closely related field

Tools

Python

Git

Job description

State University of New York at Buffalo invites applications for a full-time Postdoctoral Associate in the Peng Research Group to advance AI-enabled materials design, atomistic simulation, computational catalysis, and data-driven discovery.

The successful candidate will tackle DOE Genesis Mission research, contribute to machine learning workflows, and collaborate across disciplines, institutions, and publications while developing reproducible computational pipelines.