Computational Chemist/Material Scientist - Metal Alloys
Radical Ai
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New York, NY, USA
Posted on Apr 8, 2026
Radical AI is replacing an R&D process that currently takes 10+ years and $100 million to produce a single discovery. Our self-driving lab platform combines AI with autonomous robotics to run experiments, analyze results, and iterate—continuously, without human bottlenecks. For industries like aerospace, automotive, defense, energy, manufacturing, semiconductors, and space, that means breakthroughs in weeks instead of years.
The Opportunity
As a Computational Materials Scientist, you will be engaging in critical simulations and modeling for materials discovery, development, and characterization. Your expertise with ab-initio calculations, DFT, and other forms of computational and theory-based modeling will be crucial to our AI-driven discovery process. You will work with leading AI scientists who depend on you to assist in data aggregation, data generation, materials simulation and model development. You will draw on a robust background in computational chemistry, software development, and machine learning. You will be responsible for running AI-enabled computational workflows for materials discovery, serving as a critical resource to the ML and materials research teams.
About you
- PhD degree in Chemistry, Materials Science, Computational Chemistry, Chemical Engineering, or another related subject.
- Strong research experience (e.g., evidenced by publication record), including experience in computational modeling, utilizing ab-initio methods, and coarse-graining potentials for multiscale simulations of atomistic systems.
- Understanding of the fundamental mechanics of metals and how to model them computationally.
- Experience running high-throughput DFT.
- Experience with interatomic potentials.
- Chemistry software development experience (preferably public on e.g. GitHub, please share links to high impact pull request).
- Experience coding in Python or other similar languages.
Pluses
- Running high-throughput DFT workflows at the order of 5,000+ concurrent jobs.
- Prior experience in transitioning AI + computational research into production environments.
- Experience with additional ICME approaches (e.g., mechanistic structure-property modeling, Phase Field, CALPHAD, Atomistics, Molecular statics/dynamics, etc.).
- Experience with FEM software tools (e.g., ANSYS, ABAQUS, MOOSE, PRISMS).
- Experience with metal additive manufacturing techniques.
What We Offer
A competitive compensation package also includes the best in benefits:
- Medical, dental, and vision insurance for you and your family, covered at 100%
- Mental health and wellness support
- Unlimited PTO and 14+ company holidays per year
- Company-wide end-of-year shutdown, including two weeks of paid time off
- 401K
- Equity
Radical AI is committed to equal employment opportunity regardless of race, color, ancestry, national origin, religion, sex, age, sexual orientation, gender identity and expression, marital status, disability, or veteran status.
This job is no longer accepting applications
See open jobs at Radical Ai.See open jobs similar to "Computational Chemist/Material Scientist - Metal Alloys" AlleyCorp.
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