Catalyst Simulation Postdoc

About SandboxAQ

SandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The company’s Large Quantitative Models (LQMs) power advances in life sciences, financial services, navigation, cybersecurity, and other sectors.

We are a global team that is tech-focused and includes experts in AI, chemistry, cybersecurity, physics, mathematics, medicine, engineering, and other specialties. The company emerged from Alphabet Inc. as an independent, growth capital-backed company in 2022, funded by leading investors and supported by a braintrust of industry leaders. 

At SandboxAQ, we’ve cultivated an environment that encourages creativity, collaboration, and impact. By investing deeply in our people, we’re building a thriving, global workforce poised to tackle the world's epic challenges. Join us to advance your career in pursuit of an inspiring mission, in a community of like-minded people who value entrepreneurialism, ownership, and transformative impact. 

About the Role

We are seeking a Catalyst Simulation Postdoc to lead the implementation of computational workflows to model reactivity and dynamics of catalytic materials. You will work closely with a team of subject matter experts, computational scientists, software developers, and machine learning experts using state-of-the-art atomistic modeling techniques to accelerate the design and optimization of heterogeneous and homogeneous catalysts, focusing on porous materials (zeolites & metal-organic frameworks), transition metal complexes, and transition metal or metal oxide surfaces. This role presents an excellent opportunity for a PhD student in their final year of study or a recent PhD graduate to participate in the high-impact engagements with industrial customers as well as in the establishment of new computational capabilities such as machine learning force fields.

Core Responsibilities

• Lead design and implementation of new computational workflows simulating reactivity and dynamics of catalytic materials at atomic, mesoscale, and continuum scales.
• Support client engagements on the research and development of novel catalysts.
• Collaborate with cross-functional teams to create hybrid optimization pipelines that combine physics-based catalyst simulation approaches, modern machine learning methods, experimental reactor measurements, and experimental catalyst characterization techniques.
• Prepare reports, presentations, and publications to communicate research findings to internal, academic, and industry partners.

Minimum Qualifications

• Currently enrolled or recently completed a STEM PhD Program in Chemical Engineering, Materials Science, Physics, Chemistry, Computational Science, or related fields.
• Intermediate to advanced skill in programming languages (e.g. Python).
• Proficiency in density functional theory (DFT), molecular dynamics (MD), kinetic modeling, and other computational techniques, with the ability to integrate these with machine learning approaches.
• Significant domain experience modeling chemical reaction networks for at least one of the following catalyst material classes, as indicated by at least one relevant high-impact publication: porous materials, homogeneous transition metal complexes, heterogeneous transition metal or metal oxide surfaces.
• Experience developing machine learning force fields for solid-state systems is a plus.
• Experience providing in silico support to experimental groups working on catalyst design and/or optimization is a plus.

Details

• Start date: Year-round, on a rolling basis
• Duration: 1–3 years
• Location: Remote

The US base salary range for this full-time position is expected to be $115k - $135k per year. Our salary ranges are determined by role and level. Within the range, individual pay is determined by factors including job-related skills, experience, and relevant education or training. This role may be eligible for annual discretionary bonuses and equity.

SandboxAQ welcomes all.

We are committed to creating an inclusive culture where we have zero tolerance for discrimination. We invest in our employees' personal and professional growth. Once you work with us, you can’t go back to normalcy because great breakthroughs come from great teams and we are the best in quantum technology.   We offer competitive salaries, stock options depending on employment type, generous learning opportunities, medical/dental/vision, family planning/fertility, PTO (summer and winter breaks), financial wellness resources, 401(k) plans, and more.    Equal Employment Opportunity: All qualified applicants will receive consideration regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity, or Veteran status.   Accommodations: We provide reasonable accommodations for individuals with disabilities in job application procedures for open roles. If you need such an accommodation, please let a member of our Recruiting team know. Apply