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

Sandia National Laboratories; California (MO); Remote; USD 52,000 - 68,000; Full time

Job summary

Sandia National Laboratories is seeking a year-round intern in ML-based materials discovery. The role focuses on applying machine learning and first principles simulations to accelerate materials discovery, with emphasis on inorganic materials and energy-related applications.

Remote work is possible within the U.S. The candidate will develop new featurization strategies, integrate ML with physics-based models, and communicate results to multidisciplinary teams.

Qualifications

• Earned bachelor’s degree.
• Currently attending full-time graduate program in science, engineering, or math.
• Minimum GPA guidance not specified.
• Ability to work up to 30 h/week in academic year and up to 40 h/week in summer.

Responsibilities

• Develop new material featurization strategies and apply ML/ DL to predict properties.
• Integrate ML outputs with physics-based models for thermodynamic/kinetic properties.
• Collaborate with multidisciplinary teams for experimental validation.
• Explore active learning to discover better materials.

Skills

Machine learning

Materials modeling

Interpretable ML

Scientific communication

Education

Bachelor's degree

Graduate program enrollment

Tools

LAMMPS

Pymatgen

ASE

Materials Project

Job description

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

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.

On any given day, you may be called on to:

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.

Salary Range:

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. You can view the Intern Pay Rate chart here (https://www.sandia.gov/app/uploads/sites/51/2024/12/Student-Rate-Sheet-2025.docx) .

Qualifications We Require:

You bring the confidence and skills to be eligible for the job by meeting these minimum 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 maintatin 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.

Posting Duration:

This posting will be open for application submissions for a minimum of three (3) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time.

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*

World-changing technologies. Life-changing careers. Learn more about Sandia at: http://www.sandia.gov

*These benefits vary by job classification.

Security Clearance:

This position does not currently require a Department of Energy (DOE) security clearance.

Sandia will conduct a pre-employment drug test and background review that includes checks of personal references, credit, law enforcement records, and employment/education verifications. Furthermore, employees in New Mexico need to pass a U.S. Air Force background screen for access to Kirtland Air Force Base. Substance abuse or illegal drug use, falsification of information, criminal activity, serious misconduct or other indicators of untrustworthiness can cause access to be denied or terminated, resulting in the inability to perform the duties assigned and subsequent termination of employment. Under federal law, citizens and agents of the People's Republic of China, the Islamic Republic of Iran, the Democratic People's Republic of North Korea, and the Russian Federation are generally prohibited from accessing Sandia National Laboratories. Accordingly, such individuals will not be considered for employment unless they are also a citizen of the United States.

If hired without a clearance and it subsequently becomes necessary to obtain and maintain one for the position, or you bid on positions that require a clearance, a pre-processing background review may be conducted prior to a required federal background investigation. Applicants for a DOE security clearance need to be U.S. citizens. If you hold more than one citizenship (i.e., of the U.S. and another country), your ability to obtain a security clearance may be impacted.

Members of the workforce (MOWs) hired at Sandia who require uncleared access for greater than 179 days during their employment, are required to go through the Uncleared Personal Identity Verification (UPIV) process. Access includes physical and/or cyber (logical) access, as well as remote access to any NNSA information technology (IT) systems. UPIV requirements are not applicable to individuals who require a DOE personnel security clearance for the performance of their SNL employment or to foreign nationals. The UPIV process will include the completion of a USAccess Enrollment, SF-85 (Questionnaire for Non-Sensitive Positions) and OF-306 (Declaration of for Federal Employment). An unfavorable UPIV determination will result in immediate retrieval of the SNL issued badge, removal of cyber (logical) access and/or removal from SNL subcontract. All MOWs may appeal the unfavorable UPIV determination to DOE/NNSA immediately. If the appeal is unsuccessful, the MOW may try to go through the UPIV process one year after the decision date.

EEO:

All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, or veteran status and any other protected class under state or federal law.

NNSA Requirements for MedPEDs:

If you have a Medical Portable Electronic Device (MedPED), such as a pacemaker, defibrillator, drug-releasing pump, hearing aids, or diagnostic equipment and other equipment for measuring, monitoring, and recording body functions such as heartbeat and brain waves, if employed by Sandia National Laboratories you may be required to comply with NNSA security requirements for MedPEDs.

If you have a MedPED and you are selected for an on-site interview at Sandia National Laboratories, there may be additional steps necessary to ensure compliance with NNSA security requirements prior to the interview date.

• Close proximity to first-tier universities, Silicon Valley companies, and other top research laboratories and facilities
• Access to California’s finest public and private schools
• At Sandia, recruiters manually review resumes on each job posting instead of using a resume screening software program
• By following the best practices outlined, this ensures that recruiters can accurately determine your qualifications for the position