Theoretical and Computational Studies of Heat Transport

National Institute of Standards and Technology; Gaithersburg (MD); On-site; USD 90,000 - 120,000; Full time

Job summary

The National Institute of Standards and Technology (NIST) Material Measurement Laboratory seeks qualified candidates for theoretical and computational studies of heat transport in nanoscale junctions. The role focuses on advancing nanoscale heat-transport science and translating it into engineering outcomes, within a fast-paced, collaborative research environment.

The position requires a PhD in solid state physics or related field with expertise in molecular dynamics, density functional theory,

Qualifications

• PhD in solid state physics or related field.
• Expertise in molecular dynamics to simulate heat transport in crystalline solids.
• Expertise in calculating atomic vibrational properties using density functional theory.
• Expertise in parameterizing and using BTE to study heat transport in nanostructures.

Responsibilities

• Design and perform molecular dynamics simulations of heat transport in nanoscale semiconductors.
• Characterize vibrational properties of atoms in crystals using density functional theory.
• Parameterize and solve Boltzmann Transport Equation to describe heat transport.
• Use theoretical knowledge of solid state physics to interpret simulated data.
• Work independently to address scientific challenges and contribute to reports, manuscripts, and conference presentations.

Skills

Molecular Dynamics

Density Functional Theory

Boltzmann Transport Equation

Solid State Physics

Technical Writing

Education

PhD in solid state physics or related field

Tools

COMSOL

Job description

Theoretical and Computational Studies of Heat Transport

The Material Measurement Laboratory of the National Institute of Standards and Technology (NIST) is seeking qualified candidates (U.S. Citizens preferred) to perform theoretical and computational studies of heat transport in nanoscale thermal junctions, including thin semiconductor films. This position centers on advancing nanoscale heat-transport science and converting it into practical engineering outcomes. The work is fast-paced, collaborative, and integrated with ongoing research across a premier federal research institution.

Duties

• Design and perform molecular dynamics simulations of heat transport in nanoscale semiconductors.
• Characterize vibrational properties of atoms in crystals using density functional theory.
• Parameterize and solve Boltzmann Transport Equation (BTE) to describe heat transport.
• Use theoretical knowledge of solid state physics to interpret simulated data.
• Work independently to address scientific challenges and contribute to reports, manuscripts, and conference presentations.

Required Skills, Expertise, and Qualifications

• A PhD in solid state physics or related field.
• Expertise in using molecular dynamics to simulate heat transport in crystalline solids.
• Expertise in calculating atomic vibrational properties using density functional theory.
• Expertise in parameterizing and using BTE to study heat transport in nanostructures.

Other Desirable Qualifications

• Experience with finite element modeling tools (e.g., COMSOL).
• Experience in electron band structure calculations for semiconductors.
• Interest in applying machine learning / artificial intelligence to predict heat transport properties.
• Excellent technical writing and oral communication skills.

Employment Terms

This opportunity is to be an associate researcher in the NIST Material Data Division for a term of 1 year, with options to renew. Associate researchers are NOT Federal Employees, but they work aside NIST researchers and with NIST’s world class instrumentation. Relocation expenses will not be provided. U.S. citizens hired into associate positions may have the opportunity to seek longer term Federal Employment.