Remote Research Scientist - Homogeneous Catalysis & ML

Entangled Future; United States; À distance; USD 120 000 - 180 000; Plein temps

Résumé du poste

Responsibilities include developing workflows for reaction mechanisms, managing projects with clients, and contributing to knowledge through reports and papers. A strong publication record and Agile experience are valued.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, or related discipline.
• Experience developing and utilizing modern atomistic simulation methods for homogeneous catalysis, including quantum chemistry, ML potentials, reaction-path analysis, kinetics, and data-driven models.
• Experience performing in silico catalyst discovery and/or optimization projects, with emphasis on molecular catalyst design, mechanism elucidation, and selectivity.
• Strong background in Python for computational chemistry and reaction analysis, with experience implementing open-source packages in HPC environments.
• Ability to collaborate effectively within diverse, interdisciplinary teams.
• A strong publication record demonstrating interdisciplinary collaboration and adaptability to new technologies in catalysis research.
• 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 with experimental methods for homogeneous catalysis (organometallic synthesis, reaction screening, spectroscopy, mechanistic studies).
• Experience developing software in an industrial setting as part of a software engineering team, with Agile practices.

Responsabilités

• Lead research on the design, development, and optimization of homogeneous catalysts and ligands using computational catalysis tools.
• Develop and maintain computational workflows for studying reaction mechanisms, speciation, and reactivity in catalytic systems.
• Mentor junior scientists and collaborate with cross-functional teams to deliver research outputs.
• Communicate findings through reports, presentations, and publications to internal and external partners.

Connaissances

Atomistic simulations

Python programming

Machine learning

Catalysis research

Team collaboration

Formation

PhD in Chemistry/related field

Outils

HPC environments

Open-source software

Description du poste

Responsibilities include developing workflows for reaction mechanisms, managing projects with clients, and contributing to knowledge through reports and papers. A strong publication record and Agile experience are valued.