AI Scientist – Computational Chemistry

AIToolboard; Ashburn (VA); In loco; USD 150.000 - 210.000; Tempo pieno

Vantaggi offerti da questo lavoro

Relocation assistance

On-site facilities (childcare, gyms,,?

Flexible work arrangements

Shuttle service to Janelia

Descrizione del lavoro

HHMI’s Janelia Research Campus seeks an AI Scientist in Computational Chemistry to develop and execute innovative AI-based research, leading or participating in collaborative projects across biology and chemistry. You will work with scientists, engineers, and technicians to drive forward AI-enabled biological discovery and tool development.

The role emphasizes leadership, flexibility, and cross-disciplinary collaboration. The ideal candidate will have a Ph.D.

Competenze

• Ph.D. in Computer Science, AI, Machine Learning, Applied Mathematics, Physics, Chemistry, Chemical Engineering, Computational Chemistry, Biochemistry, Materials Science, or related field — or equivalent combination of education and experience.
• Demonstrated record of rigorous, innovative research evidenced by peer‑reviewed publications, high‑quality open‑source contributions, or impactful scientific applications, typically reflecting 5 or more years of research experience.
• Deep expertise in computational chemistry, molecular photophysics, or a closely related field — including experience with excited‑state property prediction, fluorescent molecule or biosensor design, photoswitches, or related functional molecular systems, and familiarity with quantum chemistry methods (DFT, TD-DFT, or correlated approaches).
• Strong working knowledge of AI/ML methods — including deep learning, probabilistic modeling, and generative or optimization‑based molecular design — with an emphasis on physics‑guided or mechanism‑aware approaches.

Mansioni

• Plan, initiate, and rigorously execute independent or collaborative AI-based research; may manage personnel and budgets towards this goal.
• Plan and perform scientific duties on new and varied problems where only general objectives are stated.
• Closely collaborate with other scientists, engineers, and technicians.
• Coordinate broad phases of projects and perform advanced development work to obtain and maintain technical leadership in the field of AI.
• Apply AI and computational methods to develop chemical and biochemical tools, working with experimental chemists and protein engineers.

Conoscenze

AI/ML methods

Deep learning

Molecular design

PyTorch

JAX

Computational chemistry

Formazione

Ph.D. in a related field

Descrizione del lavoro

HHMI’s Janelia Research Campus seeks an AI Scientist in Computational Chemistry to develop and execute innovative AI-based research, leading or participating in collaborative projects across biology and chemistry. You will work with scientists, engineers, and technicians to drive forward AI-enabled biological discovery and tool development.

The role emphasizes leadership, flexibility, and cross-disciplinary collaboration. The ideal candidate will have a Ph.D.