Molecular Dynamics Simulation Internship Jobs (NOW HIRING)

Description
Job Title Materials Characterization and Simulation Graduate Research Assistant
Location Los Alamos, NM, US
Organization Name MST-8 / MATERIALS SCIENCE IN RADIATION & DYNAMICS EXTREMES
Minimum Salary
Maximum Salary
What You Will Do
We are seeking a graduate research assistant (GRA) to conduct in-situ X-ray and neutron diffraction experiments on metallic and ceramic materials at large user facilities. The work involves mapping 3D crystallographic orientation and strain fields and tracking microstructural features including dislocation density, lattice strain, and structural transformations during thermo-mechanical loading. The GRA will integrate experimental diffraction data with molecular dynamics (MD) simulations to validate and interpret measurements. A significant component of the work involves developing forward models for scattering to generate physically-consistent synthetic data for training machine learning models. These models will replace traditional iterative analysis algorithms, enabling faster data processing and improved predictions of microstructural evolution. The goal is to enhance constitutive relations that describe defect dynamics at the mesoscale, which will improve microstructure-sensitive predictions of mechanical property variations in materials. The position offers flexibility for the GRA to extend these experimental and computational methods to applications relevant to their thesis research. We are looking for graduate students in Materials Science, Mechanical Engineering, Physics, or related fields. Expertise in diffraction techniques and materials characterization at light sources is sought, and familiarity with mechanistic modeling and machine learning are beneficial but not required.
What You Need
Minimum Job Requirements:

• Knowledge
• Diffraction and scattering principles and analysis techniques
• Computational materials science methods
• Machine learning applications in materials science

• Skills
• Design and execute diffraction experiments at user facilities
• Analyze and interpret complex diffraction data for materials characterization
• Forward simulations of scattering experiments
• Integrate experimental measurements with computational models and simulations
• Apply data analysis and ML tools for data reconstruction and interpretation
• Prepare and publish research findings in technical report and peer-reviewed journals

• Abilities
• Ability to work collaboratively with multidisciplinary research teams
• Ability to communicate technical results to both specialist and non-specialist audience
• Ability to adapt experimental approaches to evolving research needs
• Ability to manage multiple projects and priorities in a dynamic research environment

Education/Experience :
Graduate

• Must be enrolled (6 semester credit hours or full-time equivalent) in an accredited, degree-granting graduate level program (or international equivalent)
• Must currently have and maintain a cumulative GPA of at least 3.2 on a 4.0 scale (or equivalent).

Desired Qualifications:

• Expertise in X-ray and/or neutron diffraction experiment and analysis techniques for materials characterization at synchrotron or neutron user facilities
• Familiarity with computational materials science methods including molecular dynamics simulations or crystal plasticity modeling
• Familiarity with machine learning techniques and their application to materials science problems
• Strong programming and data analysis skills with ability to integrate experimental measurements with computational models

Work Environment:
Work Location : The work location for this position is onsite and located in Los Alamos, NM. All work locations are at the discretion of management.
Work Schedule:
Onsite/Hybrid: This position is located in Los Alamos, NM with the potential for a hybrid work arrangement (partially onsite/partially offsite) from a location within 2 hours ground commute of this location. Reporting onsite will be regularly required. Hybrid is at the discretion of management and can change at any time with appropriate notice.
Note to Applicants:
Anticipated travel requirements:

• The applicant must be available at a minimum to work onsite during the fall of 2026.

Contact: For technical questions related to this position contact Reeju Pokharel (reeju@lanl.gov)
Required Application Materials :

• Current resume
• Current official transcripts
• Personal statement of interest (not to exceed one page)

Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China-including the special administrative regions of Hong Kong and Macau-as well as citizens of the Islamic Republic of Iran, the Democratic People's Republic of Korea (North Korea), and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory.
Where You Will Work
Located in beautiful northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. Our generous benefits package includes:

• PPO or High Deductible medical insurance with the same large nationwide network
• Dental and vision insurance
• Free basic life and disability insurance
• Paid childbirth and parental leave
• Award-winning 401(k) (6% matching plus 3.5% annually)
• Learning opportunities and tuition assistance
• Flexible schedules and time off (PTO and holidays)
• Onsite gyms and wellness programs
• Extensive relocation packages (outside a 50 mile radius)

Additional Details
Directive 206.2 - Employment with Triad requires a favorable decision by NNSA indicating employee is suitable under NNSA Supplemental Directive 206.2 . Please note that this requirement applies only to citizens of the United States. Foreign nationals are subject to a similar requirement under DOE Order 142.3A.
Clearance: Q (Position will be cleared to this level). Selected applicants will be subject to a background investigation conducted by or on behalf of the Federal Government, and must meet eligibility requirements* for access to classified matter. This position requires a Q clearance, and obtaining such clearance requires US Citizenship except in extremely rare circumstances. Dependent upon the position, additional authorization to access classified information may be required, which may or may not be available to dual citizens. Receipt of a Q clearance and additional access authorization ultimately is a decision of the Federal Government and not of Triad.
*Eligibility requirements: To obtain a clearance, an individual must be at least 18 years of age; U.S. citizenship is required except in very limited circumstances. See DOE Order 472.2 for additional information.
New-Employment Drug Test: The Laboratory requires successful applicants to complete a new-employment drug test and maintains a substance abuse policy that includes random drug testing. Although New Mexico and other states have legalized the use of marijuana, use and possession of marijuana remain illegal under federal law. A positive drug test for marijuana will result in termination of employment, even if the use was pre-offer.
Internal Applicants: Regular appointment employees who have served the required period of continuous service in their current position are eligible to apply for posted jobs throughout the Laboratory. If an employee has not served the required period of continuous service, they may only apply for Laboratory jobs with the documented approval of their Division Leader. Please refer to Policy Policy P701 for applicant eligibility requirements.
Equal Opportunity: Los Alamos National Laboratory is an equal opportunity employer. All employment practices are based on qualification and merit, without regard to protected categories such as race, color, national origin, ancestry, religion, age, sex, gender identity, sexual orientation, marital status or spousal affiliation, physical or mental disability, medical conditions, pregnancy, status as a protected veteran, genetic information, or citizenship within the limits imposed by federal, state, and local laws and regulations. The Laboratory is also committed to making our workplace accessible to individuals with disabilities and will provide reasonable accommodations, upon request, for individuals to participate in the application and hiring process. To request such an accommodation, please send an email to applyhelp@lanl.gov or call (505)-664-6947.
Instructions on How to Activate/Create a LANL Jobs Account:
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Follow the instructions below if you if you have never been employed with the Lab or received insurance coverage to create an account:

• Select the Register button if you have never been employed with the Lab or received insurance coverage to Create an Account.
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How to Apply: Login to Your Account to Complete the Application Process

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If you experience any technical issues, please email applyhelp@lanl.gov for assistance.
Employment Status
Appointment Type GRA
GRA