Postdoc, Computational Materials Design & Atomistic Modeling

Pacific Northwest National Laboratory; Richland (WA); On-site; USD 69,000 - 119,000; Full time

Benefits offered by this job

Health insurance

Dental insurance

Vision insurance

Tuition assistance

Relocation

Flex spending accounts

Job summary

Pacific Northwest National Laboratory (PNNL) is seeking a Post Doctorate Research Assistant in the Materials Sciences group to perform computational materials modeling, revealing atomic-scale origins of synthesis pathways, properties, and behavior of functional materials. You will design and synthesize multi-component nanostructures for quantum information, microelectronics, and catalysis applications.

You will develop computational methods for structure-property relationships and collaborate

Qualifications

• PhD within the past five years (60 months) or within the next 8 months from an accredited college or university.
• Hands‑on expertise in ab initio modeling and molecular dynamics simulations and familiarity with a range of computational methodologies and codes demonstrated through publications.
• Proficiency in scientific coding.
• Solid grasp of the principles of statistical mechanics.
• Familiarity with atomistic foundational models and machine learning workflows for materials design.
• Excellent written and oral communication skills, demonstrated through publications and presentations.
• Ability to work independently with minimal supervision and collaboratively in a multidisciplinary team.

Responsibilities

• Perform computational modeling of structure, thermodynamic properties, and electronic characteristics of multi-component materials during synthesis and post-processing histories.
• Analyze effects of defects, disorder, and interfacial constraints on synthesis pathways and material properties.
• Develop testable mechanistic models of materials synthesis, behavior, and transformations under defined conditions, and validate against experimental data.
• Contribute to development of computational methodologies.
• Collaborate with multidisciplinary team to solve technical problems.
• Support technical leadership with organized results for progress reports and lead manuscript writing.
• Present research at project meetings and conferences.
• Participate in training undergraduate and post-graduate student interns.

Skills

Ab initio modeling

Scientific coding

Statistical mechanics

Machine learning workflows

Technical communication

Education

PhD in Condensed Matter Physics, Materials Science, Chemistry, or related field

Job description

Pacific Northwest National Laboratory (PNNL) is seeking a Post Doctorate Research Assistant in the Materials Sciences group to perform computational materials modeling, revealing atomic-scale origins of synthesis pathways, properties, and behavior of functional materials. You will design and synthesize multi-component nanostructures for quantum information, microelectronics, and catalysis applications.

You will develop computational methods for structure-property relationships and collaborate