SandboxAQ
AI solutions
ResearchScientist,CatalystSimulation
Neural analysis suggests this role is
optimal for Mid+ candidates.
“Research Scientist, Catalyst Simulation at SandboxAQ. Skills: Catalysis, Computational methods, Machine learning, Software development. Develop large-scale datasets. Develop machine-learned force fields”
What You'll Achieve.
Advance the discovery of better drugs; Advance the discovery of better materials; Advance human health; Enable safer technologies; Enable more sustainable technologies; Help customers put AI Simulation capabilities into real world use
Industry & Context.
US Persons (Permanent Residents or Citizens), Willingness to travel occasionally
What They're Looking For.
Must Have
PhD in Chemical Engineering, Materials Science, Chemistry, or an equivalent/related discipline, or equivalent practical experience, Experience developing and utilizing modern atomistic simulation methods, Machine-learned force fields, Microkinetic models for heterogeneous catalysis, In silico catalyst discovery, In silico catalyst optimization, Software development with Python, Computational materials analysis, Implementing open-source packages, HPC environment, Ability to collaborate effectively within diverse, interdisciplinary teams, Publication record demonstrating interdisciplinary collaboration, Ability to adapt to new technologies and methodologies in catalysis research, US Persons (Permanent Residents or Citizens)
Nice to Have
3+ years of proven industrial R&D experience, Atomistic simulations, Microkinetic modeling for catalyst discovery applications, Hands-on experience or familiarity with experimental methods for heterogeneous catalysis research, Synthesis, Testing, Characterization, Developing software in an industrial setting, Software engineering team, Software development best practices, Agile, Willingness to travel occasionally
What You'll Do.
Develop large-scale datasets
Develop machine-learned force fields
Develop potentials for materials discovery
Deploy computational workflows
Support computational workflows
Simulate reactivity and dynamics
Simulate catalytic materials
Collaborate with platform teams
Collaborate with machine learning teams
Collaborate with software engineering teams
Improve efficiency of discovery workflows
Improve performance of discovery workflows
Support client engagements
Research novel heterogeneous catalyst materials
Develop novel heterogeneous catalyst materials
Discover novel heterogeneous catalyst materials
Optimize novel heterogeneous catalyst materials
Support business functions
Pre-sales customer engagements
Prepare presentations
Deliver presentations
Communicate research findings
Mentor junior scientists
Champion best research practices
Champion software practices
How You'll Work.
Team & Collaboration
Collaborate with platform, machine learning, and software engineering teams; Collaborate with diverse, interdisciplinary teams; Collaborate with internal partners; Collaborate with academic partners; Collaborate with industry partners; Collaborate with experimental groups; Collaborate with software engineering team
Communication Scope
Prepare and deliver high-impact reports; Prepare and deliver high-impact presentations; Prepare and deliver high-impact publications
Full Job Description
ABOUT SANDBOXAQ SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The company’s Large Quantitative Models (LQMs) power advances in life sciences, financial services, navigation, cybersecurity, and other sectors. We are a global team that is tech-focused and includes experts in AI, chemistry, cybersecurity, physics, mathematics, medicine, engineering, and other specialties. The company emerged from Alphabet Inc. as an independent, growth capital-backed company in 2022, funded by leading investors and supported by a braintrust of industry leaders. At SandboxAQ, we’ve cultivated an environment that encourages creativity, collaboration, and impact. By investing deeply in our people, we’re building a thriving, global workforce poised to tackle the world's epic challenges. Join us to advance your career in pursuit of an inspiring mission, in a community of like-minded people who value entrepreneurialism, ownership, and transformative impact. THE OPPORTUNITY As a Research Scientist on our Computational Catalysis team, you will join a dedicated team of subject matter experts, computational scientists, software developers, and machine learning experts, leveraging an ensemble of state-of-the-art proprietary computational tools to solve real-world challenges. In this flexible role, you will be responsible for supporting one or more of the following core focus areas: - Developing large-scale DFT datasets and machine learning potentials for heterogeneous catalysis. - Supporting the design and implementation of computational workflows simulating the reactivity and dynamics of catalytic materials at atomic, mesoscale, and continuum scales. - Supporting heterogeneous catalyst discovery and optimization projects with our industrial partners in the chemical and energy sectors. KEY RESPONSIBILITIES - Technical Execution & Innovation - Develop large-scale datasets and machine-learned force fields or potentials for materials
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