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Materials Informatics Scientist Jobs (NOW HIRING)

RWJBarnabas Health

Clinical Informatics Rep I

Lakewood, NJ · On-site

$75.60K - $106.78K/yr

Bachelor of Science in relevant field preferred * Certifications: Epic Clinical Informatics ... Potential exposure to hazardous materials and communicable diseases. Interested in learning more ...

RWJBarnabas Health

Clinical Informatics Rep I

Lakewood, NJ · On-site

$75.60K - $106.78K/yr

Bachelor of Science in relevant field preferred * Certifications: Epic Clinical Informatics ... Potential exposure to hazardous materials and communicable diseases. Interested in learning more ...

Tamus

Clinical Informatics Specialist

Dallas, TX

Job Title Clinical Informatics Specialist Agency Texas A&M University Health Science Center ... A cover letter and resume will assist us in our review of your application materials. These can be ...

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How much do materials informatics scientist jobs pay per year?

As of May 31, 2026, the average yearly pay for materials informatics scientist in the United States is $123,973.00, according to ZipRecruiter salary data. Most workers in this role earn between $93,500.00 and $167,000.00 per year, depending on experience, location, and employer.

What is a Materials Informatics Scientist job?

A Materials Informatics Scientist applies data-driven techniques, such as machine learning and artificial intelligence, to analyze and predict the properties and behaviors of materials. They work at the intersection of materials science, data science, and computational modeling to accelerate the discovery and optimization of new materials. Their responsibilities often include developing algorithms, managing large datasets, and collaborating with experimental scientists to validate predictions. This role is essential in industries like electronics, energy storage, and pharmaceuticals, where material performance is critical.

What are the key skills and qualifications needed to thrive in the Materials Informatics Scientist position, and why are they important?

To thrive as a Materials Informatics Scientist, you need a solid background in materials science, data analysis, and machine learning, typically supported by an advanced degree in a related field. Experience with programming languages like Python or R, machine learning frameworks, and familiarity with materials databases and analytical software are commonly required. Strong problem-solving abilities, collaboration, and effective communication skills help you connect interdisciplinary teams and convey complex findings. These skills are crucial to effectively integrating computational techniques with experimental research, enabling data-driven materials discovery and innovation.

What does a typical day look like for a Materials Informatics Scientist?

A typical day for a Materials Informatics Scientist often involves analyzing experimental data, developing or refining algorithms to predict materials properties, and collaborating with both experimentalists and computational modelers. You may spend time programming, running simulations, mining large datasets, and presenting your findings to research teams. The role frequently includes interdisciplinary meetings to align goals and strategies, as well as documenting research processes and outcomes. This dynamic work environment offers the opportunity to contribute directly to the development of new materials and to advance the integration of data science within materials research.
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AI Research Scientist -- Agentic AI for Materials Discovery

AI Research Scientist -- Agentic AI for Materials Discovery

Meta

Redmond, WA

$184K/yr

Full-time

Posted yesterday

Meta rating

7.5

Company rating: 7.5 out of 10

Based on 43 frontline employees who took The Breakroom Quiz

117th of 184 rated software companies

Job description

This role sits within Meta's Reality Labs Research, in the Material and Systems Innovation team, which develops advanced materials for two of Meta's most ambitious hardware frontiers: lightweight, all-day wearable AR glasses and next-generation sensing and actuating materials for robotics. The AI Specialist will design and build LLM-orchestrated multi-agent systems that autonomously drive materials discovery pipelines — from computational screening and simulation through synthesis and characterization — across both domains. By closing this loop with agentic AI, we aim to compress discovery timelines from years to weeks, directly accelerating Meta's ability to ship breakthrough AR/VR and robotics hardware. This position bridges two of Meta's highest-priority investment areas — frontier AI and the physical systems underpinning the metaverse and embodied intelligence — and will contribute both production systems and published research at top-tier venues.
AI Research Scientist — Agentic AI for Materials Discovery Responsibilities:
  • Design, implement, and optimize LLM-orchestrated multi-agent systems for autonomous materials discovery pipelines
  • Build specialized AI sub-agents that operate within a closed-loop discovery framework
  • Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC infrastructure
  • Develop and fine-tune retrieval-augmented generation (RAG) systems over scientific literature corpora for real-time knowledge synthesis
  • Collaborate with materials scientists, computational chemists, and ML researchers to translate domain workflows into autonomous agent architectures
  • Evaluate and benchmark agent performance on materials discovery tasks — measuring accuracy, throughput, and synthetic viability of generated candidates
  • Contribute to open-source tooling and publish research at top-tier venues (NeurIPS, ICML, ICLR, or domain journals)

Minimum Qualifications:
  • Bachelor's degree in Computer Science, Computer Engineering, relevant technical field, or equivalent practical experience
  • PhD in AI, Computer Science, Computational Chemistry, Materials Science, or related field
  • 2+ years of experience with large language models, prompt engineering, or agentic AI frameworks (e.g., React, tool-use agents, multi-agent orchestration)
  • Demonstrated programming skills in Python and experience with ML frameworks (PyTorch, JAX, or similar)
  • Demonstrated experience in building end-to-end AI systems that integrate external tools and APIs
  • Familiarity with at least one domain: computational chemistry, molecular simulation, or materials informatics

Preferred Qualifications:
  • Experience building multi-agent or LLM-orchestrated systems for scientific applications
  • Familiarity with atomistic simulation tools (VASP, Gaussian, LAMMPS, ASE) or cheminformatics libraries
  • Publications at peer-reviewed ML or domain conferences
  • Experience with retrieval-augmented generation, knowledge graphs, or scientific literature mining
  • Understanding of crystal structure prediction, molecular dynamics, or quantum chemistry workflows
  • Experience with HPC job orchestration

About Meta:
Meta builds technologies that help people connect, find communities, and grow businesses. When Facebook launched in 2004, it changed the way people connect. Apps like Messenger, Instagram and WhatsApp further empowered billions around the world. Now, Meta is moving beyond 2D screens toward immersive experiences like augmented and virtual reality to help build the next evolution in social technology. People who choose to build their careers by building with us at Meta help shape a future that will take us beyond what digital connection makes possible today—beyond the constraints of screens, the limits of distance, and even the rules of physics.
Meta is proud to be an Equal Employment Opportunity and Affirmative Action employer. We do not discriminate based upon race, religion, color, national origin, sex (including pregnancy, childbirth, or related medical conditions), sexual orientation, gender, gender identity, gender expression, transgender status, sexual stereotypes, age, status as a protected veteran, status as an individual with a disability, or other applicable legally protected characteristics. We also consider qualified applicants with criminal histories, consistent with applicable federal, state and local law. Meta participates in the E-Verify program in certain locations, as required by law. Please note that Meta may leverage artificial intelligence and machine learning technologies in connection with applications for employment.
Meta is committed to providing reasonable accommodations for candidates with disabilities in our recruiting process. If you need any assistance or accommodations due to a disability, please let us know at accommodations-ext@meta.com.
$184,000/year to $257,000/year + bonus + equity + benefits
Individual compensation is determined by skills, qualifications, experience, and location. Compensation details listed in this posting reflect the base hourly rate, monthly rate, or annual salary only, and do not include bonus, equity or sales incentives, if applicable. In addition to base compensation, Meta offers benefits. Learn more about benefits at Meta.

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