Hiring: Research Scientist, Homogeneous Catalyst Simulation Company: SandboxAQ Location: United States Job Posted Time: 2026-09-14 10:54:55 Employment Type: Remote Target Skills & Keywords : Agile, Epic Systems, Machine Learning, Python, R About the job Experience: •Strong background in software development with Python, particularly for computational chemistry and reaction analysis, and experience implementing open-source packages in an HPC environment. •Demonstrated capacity 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. Required Skills: •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. •Supporting the design and implementation of computational workflows to study reaction mechanisms, catalyst speciation, selectivity, and reactivity in molecular catalytic systems. •Supporting homogeneous catalyst discovery and optimization projects with our industrial partners in the chemical, pharmaceutical, and energy sectors. •Developing large-scale quantum chemistry datasets and machine learning models for homogeneous catalysis. •Project & Client Leadership •Support client engagements focused on the research, development, discovery, and optimization of novel homogeneous catalysts, ligands, and reaction conditions. •Support business functions with technical diligence and proposal development for pre-sales customer engagements. •Deploy and support the design and implementation of computational workflows to investigate catalytic cycles, elementary reaction steps, transition states, catalyst speciation, and structure-selectivity relationships in homogeneous catalysis. Qualifications: •3+ years of proven industrial R&D experience supporting experimental groups with computational studies for homogeneous catalyst discovery, mechanism elucidation, or selectivity optimization. •Hands-on experience or familiarity with experimental methods for homogeneous catalysis research (e.g., organometallic synthesis, reaction screening, spectroscopy, and mechanistic studies). •Willingness to travel occasionally for in-person meetings with industrial partners. •PhD in Chemistry, Chemical Engineering, Materials Science, or an equivalent/related discipline, or equivalent practical experience. Compensation: •$134,400 - $252,000 / year •Flexible work environment (work from home / hybrid options) •Competitive benefits and rewards package Interested candidates, please apply directly through the job posting on company's career page or try via AI auto apply on this platform. Don't miss this opportunity to join a forward-thinking team!