Research Scientist, Catalyst Simulation

This is a fully remote position, open to applicants in United States.

📋 Description

• Assist in client projects that emphasize the research, development, discovery, and enhancement of innovative homogeneous catalysts, ligands, and reaction conditions.

• Implement and support the design of computational workflows aimed at exploring catalytic cycles, elementary reaction steps, transition states, catalyst speciation, and structure-selectivity relationships in homogeneous catalysis.

• Work collaboratively with platform, machine learning, and software engineering teams to continually enhance the efficiency and performance of discovery workflows.

• Create extensive datasets and machine-learned models for the discovery of molecular catalysts and reactions.

• Produce and present impactful reports, presentations, and publications to convey research outcomes to internal stakeholders, academic institutions, and industry partners.

• Guide junior scientists and interns in the areas of catalysis, reaction engineering, and computational techniques, promoting best practices in research and software development.

⛳️ Requirements

• PhD in Chemistry, Chemical Engineering, Materials Science, or a related field, or equivalent practical experience.

• Proficiency in developing and applying contemporary atomistic simulation techniques for homogeneous catalysis, which includes quantum chemistry, machine learning potentials, reaction-path analysis, kinetics, and data-driven models.

• Experience executing in silico catalyst discovery and/or optimization initiatives, with a focus on molecular catalyst design, mechanism elucidation, and selectivity control.

• Strong software development skills in Python, particularly in the context of computational chemistry and reaction analysis, along with experience in utilizing open-source packages in a high-performance computing (HPC) setting.

• Capability to work effectively within diverse and interdisciplinary teams.

• A robust publication history showcasing interdisciplinary collaboration and adaptability to new technologies and methodologies in catalysis research.

• Over 3 years of demonstrable industrial R&D experience supporting experimental teams with computational studies related to homogeneous catalyst discovery, mechanism elucidation, or selectivity optimization.

🏝️ Benefits

• Comprehensive medical, dental, and vision insurance for employees and their dependents, with generous employer premium contributions.

• Retirement savings plan with company matching.

• Paid parental leave.

• Inclusive family-building benefits.

• Flexible paid time off.

• Company-wide seasonal breaks.

• Support for flexible work arrangements that promote sustainable performance.

• Competitive base salary along with performance-based incentives or bonuses.