Scientist II, Modeling & Simulation (AI/ML)

Location: Aurora, IL, United States; onsite at the Aurora facility

Salary: $95,000–$120,000 per year

Company

hirify.global develops materials and solutions that support semiconductor technology and product development.

What you will do

• Execute established atomistic, molecular, and data modeling and simulation methods for materials and semiconductor technology projects.
• Apply DFT, DFTB, Molecular Dynamics, and data modeling approaches to generate technical insights.
• Generate DFT training sets for fine-tuning Machine Learning Interatomic Potentials used in Molecular Dynamics simulations.
• Evaluate and apply AI-based tools for material development, analyze results, and communicate findings to project stakeholders.
• Follow established models, parameters, codes, procedures, calculations, and documentation practices, contributing to method improvements.
• Collaborate with R&D staff, technologists, FAE, project stakeholders, and other internal partners.

Requirements

• Master’s degree in Chemistry, Materials Science, Chemical Engineering, Physics, or a related field, focused on computational chemistry, molecular dynamics, materials modeling, or a related discipline.
• Working knowledge of atomistic, molecular, or data modeling and simulation using commercial or open-source software.
• Basic understanding of semiconductor processes and/or materials.
• Familiarity with Linux and one or more of LAMMPS, GROMACS, Quantum ESPRESSO, CP2K, VASP, xTB, or COSMO-RS/SAC.
• Exposure to or familiarity with AI/ML tools and approaches for material development, including ChemProp, MLIP, FM4M, AiZynthFinder, Transformers, message-passing approaches, or self-attention architectures.
• Working knowledge of Python or C/C++, with Python preferred, for computational modeling, data analysis, or AI/ML applications.
• Strong communication, collaboration, stakeholder-management, and cross-functional teamwork skills.
• Ability to apply established computational methods, deliver accurate results within project timelines, analyze issues, make adjustments with guidance, and apply techniques across different materials, products, and processes.
• Willingness to learn new modeling, simulation, and AI/ML tools and approaches, with a commitment to continuous learning and development.
• hirify.global does not provide immigration-related sponsorship; applicants requiring H1B, TN, STEM OPT, or other immigration sponsorship now or in the future should not apply.

Nice to have

• Experience with molecular design, retrosynthesis, data modeling, or material informatics.

Culture & Benefits

• Full-time role with a collaborative, values-driven culture centered on People, Accountability, Creativity, and Excellence.
• 401(k) plan with employer match and health, dental, and vision insurance.
• Flexible work schedule, 11 paid holidays, and paid time off.
• Education assistance and opportunities for learning and development.