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
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
Technical Execution & Innovation
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
Collaborate with platform, machine learning, and software engineering teams to continuously improve the efficiency and performance of discovery workflows
Develop large-scale datasets and machine-learned models for molecular catalyst and reaction discovery
Communication & Mentorship
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