Quantum Cheminformatics Scientist

Job Description

Job Title: Quantum Cheminformatics Scientist. Location: Palo Alto, California, United States; Remote

This position offers the opportunity to work in an interdisciplinary environment at the forefront of quantum-driven cheminformatics.

Duties:

• Conduct research combining quantum computing and ML-driven cheminformatics for molecular modeling and property prediction.
• Develop and apply machine learning models to accelerate discovery in drug design, catalysis, and energy materials;
• Collaborate with quantum algorithm experts to identify impactful applications in cheminformatics and materials discovery.
• Lead technical efforts in collaborative projects integrating quantum and ML insights into workflows;
• Serve as a subject matter expert in ML-driven cheminformatics and stay updated on advancements in AI, computational chemistry, and quantum computing.
• Document and communicate research findings via internal reports, peer-reviewed publications, and conference presentations.

Qualifications:

• Ph.D. in cheminformatics, computational chemistry, physics, chemical or materials engineering, or a closely related field.
• 0–6 years post-PhD experience in academia or industry;
• Hands-on experience developing and applying machine learning models for real-world problems in cheminformatics, drug design, or materials science.
• Proficiency in Python and scientific libraries or ML frameworks such as TensorFlow, PyTorch, or scikit-learn.
• Experience in computational workflows integrating ML and molecular modeling tools;
• Published research in molecular modeling, ML applications, or cheminformatics.
• Preferred: experience with molecular modeling methods (DFT, coupled cluster, wavefunction-based), molecular dynamics, property prediction, or hybrid quantum-classical approaches.

Benefits and Instructions:

• Full-time role eligible for base salary of $140,000–$175,000 USD, equity, and benefits.
• Flexible location: Palo Alto, California or remote within the US;
• Opportunity to work on transformative projects in quantum computing and cheminformatics.
• To apply, submit your resume and cover letter highlighting relevant experience and skills.