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Research Scientist, Catalyst Simulation

Remote, USA Full-time Posted 2026-06-27

Job Description:

  • reputed company 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 reputed company, 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/reputed company 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-reputed company packages in an HPC environment.
  • Ability to collaborate effectively reputed company 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 reputed company learning and growth through on-the-job development, cross-functional collaboration, and access to internal learning and development programs

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