Agentic AI Scientist: Multiscale Materials Modeling Postdoc

Los Alamos National Laboratory; Los Alamos (NM); On-site; USD 90,000 - 109,000; Full time

Job summary

Los Alamos National Laboratory seeks a postdoctoral researcher to advance agentic AI for scientific discovery and multiscale materials modeling. The role combines AI-driven frameworks with physics-based research connecting atomistic simulations to continuum-scale descriptions of materials under extreme conditions.

The successful candidate will join a multidisciplinary team spanning AI, computational materials science, atomistic simulation, theoretical physics, and continuum multiphysics

Qualifications

• Ph.D. in a closely related field completed within the past five years or by start date.
• Experience integrating AI agents or AI-driven workflows in scientific computing.
• Experience with atomistic and continuum simulations is preferred.

Responsibilities

• Advance agentic AI for scientific discovery and multiscale materials modeling.
• Develop AI-driven scientific-computing frameworks linking atomistic and continuum models.
• Collaborate across AI, materials science, and physics teams; ensure reproducibility.

Skills

Agentic AI & automation

Scientific computing

Python/C++/Fortran

Multiscale modeling

Physical modeling

Education

Ph.D. in Physics/Materials Science/Engineering

Tools

LAMMPS

HPC frameworks

Job description

Los Alamos National Laboratory seeks a postdoctoral researcher to advance agentic AI for scientific discovery and multiscale materials modeling. The role combines AI-driven frameworks with physics-based research connecting atomistic simulations to continuum-scale descriptions of materials under extreme conditions.

The successful candidate will join a multidisciplinary team spanning AI, computational materials science, atomistic simulation, theoretical physics, and continuum multiphysics