Remote Computational Catalysis Scientist (Homogeneous)

SandboxAQ; United States; On-site; USD 150,000 - 190,000; Full time

Benefits offered by this job

Remote work

Job summary

SandboxAQ in the United States is seeking a Research Scientist for the Computational Catalysis team to apply state-of-the-art atomistic methods and ML to homogeneous catalysis challenges. You will design workflows, develop large datasets and ML models, and collaborate with software and ML teams to advance discovery and optimization for industrial partners.

Strong publication record and ability to mentor junior scientists are valued, with remote-friendly work and opportunities for

Qualifications

• PhD in chemistry, chemical engineering, materials science, or related field.
• Experience with modern atomistic simulation methods for homogeneous catalysis.
• Experience in silico catalyst discovery/optimization and mechanism elucidation.
• Strong Python skills for computational chemistry and reaction analysis in HPC.
• Record of interdisciplinary collaboration and publications.

Responsibilities

• Design and implement computational workflows for catalytic cycles and selectivity.
• Collaborate with platform, ML, and software teams to improve workflows.
• Develop datasets and ML models for catalysis discovery and reaction optimization.
• Mentor junior scientists and present findings to internal and external partners.

Skills

Atomistic simulations

In silico catalyst design

Python for computational chemistry

Interdisciplinary collaboration

Publications record

Education

PhD in Chemistry, Chemical Engineering, or Materials Science

Tools

Python

Open-source software

HPC

Job description

SandboxAQ in the United States is seeking a Research Scientist for the Computational Catalysis team to apply state-of-the-art atomistic methods and ML to homogeneous catalysis challenges. You will design workflows, develop large datasets and ML models, and collaborate with software and ML teams to advance discovery and optimization for industrial partners.

Strong publication record and ability to mentor junior scientists are valued, with remote-friendly work and opportunities for