Research Scientist, Catalyst Simulation
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Job Description
Research Scientist leveraging proprietary computational tools to solve real-world challenges in catalysis at SandboxAQ. Collaborating with interdisciplinary teams to drive innovations in catalyst discovery and optimization.
Responsibilities:
- Develop large-scale datasets and machine-learned force fields or potentials for materials discovery.
- Deploy and support the design and implementation of computational workflows simulating the reactivity and dynamics of catalytic materials across atomic, mesoscale, and continuum scales.
- Collaborate with platform, machine learning, and software engineering teams to continuously improve the efficiency and performance of discovery workflows.
- Support client engagements focused on the research, development, discovery, and optimization of novel heterogeneous catalyst materials.
- Prepare and deliver high-impact reports, presentations, and publications to communicate research findings to internal, academic, and industry partners.
- Mentor junior scientists and interns in catalysis, reaction engineering, and computational methods, championing best research and software practices.
Requirements:
- PhD in Chemical Engineering, Materials Science, Chemistry, or an equivalent/related discipline, or equivalent practical experience.
- Experience developing and utilizing modern atomistic simulation methods, including machine-learned force fields and microkinetic models for heterogeneous catalysis.
- Experience performing in silico catalyst discovery and/or optimization projects.
- Strong background in software development with Python, particularly for computational materials 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.
Benefits:
- Comprehensive medical, dental, and vision coverage for employees and dependents with generous employer premium contributions
- Retirement savings with company matching
- Paid parental leave
- Inclusive family-building benefits
- Fully remote
- Flexible paid time off
- Company-wide seasonal breaks
- Support for flexible work arrangements
- Opportunities for continuous learning and growth through on-the-job development, cross-functional collaboration, and access to internal learning and development programs
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