Remote Quantum Catalysis Applications Lead

PsiQuantum; United States; Remote; USD 180,000 - 240,000; Full time

Job summary

PsiQuantum is seeking a Chemicals Applications Lead in the United States to drive computational catalysis strategies across chemicals, agrochemicals, and catalysis. You will work with BD, Algorithms, ML, and product teams to translate customer needs into actionable computational roadmaps and programs.

The role requires deep catalytic knowledge, strong business sense, and the ability to lead multi-disciplinary efforts from concept to customer engagements.

Qualifications

• Ph.D. in computational/theoretical chemistry, chemical engineering, physical chemistry, physics, or related field with 3+ years in computational catalysis.
• Deep expertise in homogeneous, heterogeneous, electro-, or photocatalysis and catalyst modeling workflows.
• Strong understanding of electronic-structure methods in catalysis, incl. transition metals and multireference systems.
• Ability to lead ambiguous, cross-functional technical programs and communicate with scientists, product teams, executives.
• Preferred: translating technical capabilities into customer programs, partnerships, or government-funded work.
• Preferred: familiarity with quantum algorithms or hybrid classical-quantum workflows.

Responsibilities

• Lead computational catalysis work across chemicals and agrochemicals, prioritizing use cases by relevance and value.
• Translate industrial questions into clear computational specifications with product and R&D teams.
• Diagnose uncertainties in catalyst modeling and design end-to-end workflows.
• Stay current on ML-based simulation, candidate generation, and synthesis techniques for catalysis.
• Lead technical discovery and customer engagements with industry partners and researchers.
• Build business cases linking QC-derived improvements to R&D outcomes and revenue opportunities.
• Develop customer-facing materials and represent PsiQuantum to scientific and executive audiences.

Skills

Computational catalysis

Electronic structure

MD simulations

ML potentials

Catalysis modeling

Cross-functional leadership

Commercial judgment

Education

PhD in computational chemistry or related field

Job description

PsiQuantum is seeking a Chemicals Applications Lead in the United States to drive computational catalysis strategies across chemicals, agrochemicals, and catalysis. You will work with BD, Algorithms, ML, and product teams to translate customer needs into actionable computational roadmaps and programs.

The role requires deep catalytic knowledge, strong business sense, and the ability to lead multi-disciplinary efforts from concept to customer engagements.