Research Engineer - AI for Chemistry

Facebook; New York (NY); On-site; USD 56,000 - 173,000; Full time

Job summary

An innovative company is seeking a Research Engineer to join their AI for Chemistry team. This role involves developing AI models to accelerate material discovery, working closely with computational and experimental chemists. You will lead efforts in large-scale simulations and data management, contributing to groundbreaking research in materials science. This position offers the chance to work on diverse projects, from computational discovery to productizing new materials, in a collaborative and dynamic environment. If you're passionate about AI and chemistry, this is an exciting opportunity to make a significant impact in the field.

Qualifications

• 1+ year of industry experience in AI or computational chemistry.
• Experience collaborating with partner teams in scientific domains.

Responsibilities

• Developing AI models for computational chemistry workflows.
• Applying large-scale distributed compute for scientific applications.

Skills

Machine Learning

Graph Neural Networks

Computational Chemistry

Density Functional Theory

Data Generation

Education

Bachelor's degree in Computer Science

PhD in Computer Science or related field

Tools

VASP

ORCA

Job description

**Summary:**

Meta's Fundamental AI Research organization (FAIR) is developing AI-based methods to accelerate novel material discovery. In this position you will be joining the AI for Chemistry team doing this work. The material domains currently being worked on are electro-catalysts for CO2RR & OER, nano-porous materials for direct air capture, and new materials for display technologies.You will be a researcher for AI modeling of crystalline materials. The role will be performed in close collaboration with computational and experimental chemists in Reality Labs Research and AI researchers in FAIR. You will be expected to provide technical leadership across large-scale ab-initio simulations, data generation and management for ML training, ML modeling, and applying ML models to material discovery.The work being done will in some cases be published and open-sourced. This role may also be done jointly with various university academic collaborators. The aim of the work is to go end to end from computational discovery to productizing new materials, so you will have the opportunity to work across that entire lifecycle.Research areas may include Machine Learning, Graph Neural Networks, Graph learning, Density Functional Theory, Computational chemistry, Optics, or other similar fields.

**Required Skills:**

Research Engineer - AI for Chemistry Responsibilities:

1. Large scale distributed compute for applying AI to scientific applications in chemistry and material science.

2. Developing, integrating and utilizing AI models in computational chemistry workflows.

3. Developing or applying computational chemistry tools for dataset generation: DFT (VASP, ORCA, etc), DFPT (VASP, etc), GCMC, etc.

**Minimum Qualifications:**

Minimum Qualifications:

4. Currently has, or is in the process of obtaining a Bachelor's degree in Computer Science, Computer Engineering, relevant technical field, or equivalent practical experience. Degree must be completed prior to joining Meta

5. 1+ year of industry experience in Machine Learning, Graph Neural Networks, Graph learning, Density Functional Theory, Computational chemistry, Optics, or other similar fields.

6. Research and engineering experience in Machine Learning or Artificial intelligence.

7. Interest and experience with computational chemistry, material science, or scientific domains.

8. Experience collaborating with partner teams.

**Preferred Qualifications:**

Preferred Qualifications:

9. PhD in Computer Science, Materials Science, Machine Learning, or similar fields of study.

10. Publications in machine learning

11. Experience building very large ab-initio simulation datasets

12. Experience testing and validating large AI/ML models for inorganic materials science

**Public Compensation:**

$56.25/hour to $173,000/year + bonus + equity + benefits

**Industry:** Internet

**Equal Opportunity:**

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 [e-mail].