# Research Scientist, Homogeneous Catalyst Simulation at SandboxAQ

- Company: SandboxAQ
- What the company does: SandboxAQ leverages the compound effects of AI and advanced computing to address some of the biggest challenges impacting society. SandboxAQ technologies include AI simulation, cryptography management for cybersecurity, and AI sensing for global organizations.
- Company website: https://www.sandboxaq.com
- Type: Startups (AI role)
- Level: Mid level
- Location: United States
- Work setup: Remote
- Pay: $134K to $252K base salary per year (USD)
- Posted: 2026-07-31
- Apply by: 2026-10-08
- Apply: https://jobs.ashbyhq.com/sandboxaq/18a1e6e5-bf7c-4048-8c42-483d38e08a51
- Page: https://www.1752.vc/careers/jobs/sandboxaq-research-scientist-homogeneous-catalyst-simulation/

## About the role

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 role, you will be responsible for supporting one or more of the following core focus areas:

## What they're looking for

- PhD in Chemistry, Chemical Engineering, Materials Science, or an equivalent/related discipline, or equivalent practical experience
- Experience developing and utilizing modern atomistic simulation methods for homogeneous catalysis, including quantum chemistry, machine learning potentials, reaction-path analysis, kinetics, and data-driven models
- Experience performing in silico catalyst discovery and/or optimization projects, with emphasis on molecular catalyst design, mechanism elucidation, and selectivity control
- Strong background in software development with Python, particularly for computational chemistry and reaction analysis, and experience implementing open-source packages in an HPC environment
- Ability to collaborate effectively within diverse, interdisciplinary teams
- A strong publication record demonstrating interdisciplinary collaboration and the ability to adapt to new technologies and methodologies in catalysis research

Tags: AI Simulation