AI-Driven Molecular & Materials Modeling Postdoc

Los Alamos National Laboratory; Los Alamos (NM); On-site; USD 65,000 - 85,000; Full time

Benefits offered by this job

Medical insurance

Dental and vision insurance

401(k) matching

Flexible schedules

Onsite gyms and wellness programs

Job summary

Los Alamos National Laboratory seeks a highly motivated Postdoctoral Researcher to develop advanced methodologies for understanding rare-earth element chemistry. This role offers the chance to investigate REE coordination and separation using quantum chemistry and machine learning.

The successful candidate will work onsite in Los Alamos, NM, and is expected to have a Ph.D. in a relevant field. The position includes exceptional opportunities for scientific collaboration and participation in workshops.

Qualifications

• Ph.D. completed within the last five years.
• Experience with first-principles electronic structure methods, including DFT and/or TD-DFT.
• Experience performing atomistic simulations of molecular or condensed-phase systems.
• Demonstrated ability to work creatively and independently.

Responsibilities

• Develop and apply methodologies for understanding REE chemistry.
• Work at the intersection of quantum chemistry and machine learning.
• Investigate REE coordination, separation, and interfacial processes.

Skills

First-principles electronic structure methods

Atomistic simulations

Machine learning and data science

Excellent communication and writing skills

Education

Ph.D. in Chemistry, Physics, Materials Science, or related field

Tools

Python

High-performance computing platforms

Job description

Los Alamos National Laboratory seeks a highly motivated Postdoctoral Researcher to develop advanced methodologies for understanding rare-earth element chemistry. This role offers the chance to investigate REE coordination and separation using quantum chemistry and machine learning.

The successful candidate will work onsite in Los Alamos, NM, and is expected to have a Ph.D. in a relevant field. The position includes exceptional opportunities for scientific collaboration and participation in workshops.