Remote Research Scientist - Catalyst Simulation & Discovery

SandboxAQ; United States; On-site; USD 140,000 - 190,000; Full time

Benefits offered by this job

Competitive compensation

Comprehensive benefits package

Opportunities for professional growth

Job summary

SandboxAQ is seeking a Research Scientist for the Computational Catalysis team to apply advanced quantum chemistry and machine learning to homogeneous catalysis problems. You will collaborate with experts in AI, chemistry, and software to design workflows and generate large datasets.

The role emphasizes publication-quality reporting, mentoring junior scientists, and strong software development in Python within a fully remote US environment.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, or related discipline.
• Experience with quantum chemistry and machine learning potentials.
• Experience in homogeneous catalysis research.
• Python for computational chemistry and reaction analysis in HPC settings.
• Strong publication record demonstrating interdisciplinary collaboration.

Responsibilities

• Support client engagements focused on development of homogeneous catalysts, ligands, and reaction conditions.
• Support technical diligence and proposal development for pre-sales engagements.
• Deploy and support computational workflows to investigate catalytic cycles, elementary steps, and structure–selectivity relationships.
• Collaborate with platform, ML, and software teams to improve discovery workflows.
• Develop large-scale datasets and machine-learned models for catalysis discovery.
• Prepare and deliver high-impact reports, presentations, and publications to internal, academic, and industry partners.
• Mentor junior scientists in catalysis, reaction engineering, and computational methods.

Skills

Python programming for computational工作

Industrial R&D experience

Experimental catalysis methods

Industrial software development

Education

PhD in Chemistry / Chemical Engineering / Materials Science

Tools

HPC environments

Job description

SandboxAQ is seeking a Research Scientist for the Computational Catalysis team to apply advanced quantum chemistry and machine learning to homogeneous catalysis problems. You will collaborate with experts in AI, chemistry, and software to design workflows and generate large datasets.

The role emphasizes publication-quality reporting, mentoring junior scientists, and strong software development in Python within a fully remote US environment.