Intern Yr Rnd - R&D Grad -- ML-based Materials Discovery, Remote

About the Role

We are seeking a year-round intern, currently enrolled in a Ph.D. program, to apply machine learning and/or first principles simulations to accelerate materials discovery. Research areas may broadly span inorganic materials modeling (oxides, nitrides, MXenes, transition metal dichalcogenides, or others) for energy and fuels (hydrogen or ammonia production, storage, or utilization) or other applications. A central theme in this effort is the rational design of new materials by changing the chemical composition, the arrangement of the atoms or molecules in crystalline or amorphous configurations, and the size, shape, and orientation of nanoparticles, films, crystals, or other nano- or macroscopic units.

Excellent communication skills are required to convey results with multi-disciplinary scientific teams and help prioritize and direct experimental validation efforts.

Responsibilities

• Demonstrate the creativity and know-how to (1) develop new material featurization strategies and (2) adapt state-of-the-art machine and deep learning techniques to directly predict materials properties that are not achievable within currently established methodologies.
• Integrate the outputs of machine learning models with other physics-based models or classical simulations to predict the thermodynamic, kinetic, or electronic properties of materials.

The selected applicant can be a remote worker located in any U.S. State or District of Columbia. Regular or periodic travel to your assigned work location may be required.

Requirements

• Earned bachelor's degree
• Currently attending and enrolled full time in an accredited science, engineering, or math graduate program
• Minimum cumulative GPA of 3.0/4.0
• Ability to work up to 30 hours per week during the academic year, and up to 40 hours per week during the summer
• Ability to secure and maintain a U.S. security clearance which requires U.S. citizenship

Qualifications We Desire

Desired majors: Chemistry, Physics or related fields

Exceptional applicants will also have previous experience and demonstrated success in some of the following:

• Extensive experience with running atomistic simulations in LAMMPS for inorganic and nanoconfined materials
• Open-source materials science libraries and databases like atomate, ase, pymatgen, Materials Project, OQMD, etc.
• Interpretable machine learning techniques to discover new structure-function relationships from experimental or computational data, which will in-turn be used to design novel materials with properties and behavior that are enhanced over existing options
• Active learning techniques to iteratively discover better materials
• Extensive collaboration skills within a larger team engaged in modeling, material synthesis, and use of advanced characterization tools
• Playing a major role in discovery and advancing the fundamental understanding of new materials through state-of-the-art computational and data science tools

Pay

At Sandia, we value the important work done by our interns and its contribution to National Security. Because of this, our interns earn competitive pay rates. Our pay structure is based on earned credit hours, classification, and degree level. Your pay rate will be determined during the hire process and included in your offer package.

View the Intern Pay Rate chart.

About Our Team

The Materials Physics department performs fundamental research on the structure and properties of materials to support programs in energy research, device physics, materials reliability, and national security. Specific activities include experimental and modeling studies of surface electronic structure and surface atomic structure and dynamics of metals, oxides, low dimensional semiconductors, and adsorbates; atomic-scale structure and composition analysis of metals, semiconductors, and composites; electrical and optical properties of low-dimensional semiconductors and optoelectronic devices; and the structural and electrochemical characterization of solid-state ionic materials. The Department supports internal and external sponsors and government agencies that seek solutions to problems of fundamental scientific inquiry, energy sustainability, and national defense.

About Sandia

Sandia National Laboratories is the nation’s premier science and engineering lab for national security and technology innovation, with teams of specialists focused on cutting-edge work in a broad array of areas. Some of the main reasons we love our jobs:

• Challenging work with amazing impact that contributes to security, peace, and freedom worldwide
• Extraordinary co-workers
• Some of the best tools, equipment, and research facilities in the world
• Career advancement and enrichment opportunities
• Flexible work arrangements for many positions include 9/80 (work 80 hours every two weeks, with every other Friday off) and 4/10 (work 4 ten-hour days each week) compressed workweeks, part-time work, and telecommuting (a mix of onsite work and working from home)
• Generous vacation, strong medical and other benefits, competitive 401k, learning opportunities, relocation assistance and amenities aimed at creating a solid work/life balance*

These benefits vary by job classification.