Computational Materials Research Engineer (AI)

Location: Onsite at the San Jose Great Oaks Headquarters in San Jose, California, United States

Salary: $134,800–$179,700 per year

Company

hirify.global develops data storage systems and infrastructure for AI-driven data centers, cloud platforms, and enterprise environments.

What you will do

• Develop computational simulations of materials, interfaces, and devices, including thermal, electronic, and spin transport phenomena.
• Apply AI and machine learning to accelerate atomistic materials simulations and evaluate large pools of material candidates.
• Assess material properties and interactions to support device design and materials discovery.
• Collaborate with experimental research teams to guide materials exploration and interpret experimental results.
• Develop new computational research capabilities within a multidisciplinary materials laboratory.

Requirements

• 3+ years of experience in computational materials science with a strong background in solid-state physics and devices.
• PhD in Physics, Materials Science, Electrical Engineering, Chemistry, Chemical Engineering, or a related field.
• Expertise in density functional theory, classical molecular dynamics, and ab initio simulation tools such as QuantumATK, VASP, Quantum Espresso, Questaal, or KKR-CPA.
• Experience with materials searches, machine learning for atomistic simulations, neural networks, and DFT training datasets.
• Knowledge of magnetism, magnetic materials, spin-orbit interactions, spin and thermal transport, and material interfaces.
• Programming and high-performance computing skills, including Python and materials simulation environments such as ASE.

Nice to have

• Experience with PAOFLOW, WANNIER90, or LAMMPS.
• Experience using machine-learned interatomic potentials for large-scale atomistic simulations.
• Experience predicting transport properties with NEGF or Kubo-Greenwood methods.
• Knowledge of chemical interactions at material interfaces and surfaces.

Culture & Benefits

• Research conducted in a collaborative laboratory with experimental teams, cleanroom facilities, nanoscale device fabrication tools, and dedicated support staff.
• Paid vacation and sick leave.
• Medical, dental, vision, life, accident, and disability insurance.
• 401(k), health savings and flexible spending accounts, tuition reimbursement, transit benefits, employee stock purchase plan, and potential bonus or long-term incentive programs.
• Equal-opportunity and accessibility support throughout the application and employment process.