Posting Title

Post-Undergraduate/Graduate Intern: Molecular Modeling

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Location

CO - Golden

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Position Type

Intern (Fixed Term)

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Hours Per Week

40

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Working at NREL

The National Renewable Energy Laboratory (NREL), located at the foothills of the Rocky Mountains in Golden, Colorado is the nation's primary laboratory for energy systems research and development.

Join the National Renewable Energy Laboratory (NREL), where world-class scientists, engineers, and experts are accelerating energy innovation through breakthrough research and systems integration. From our mission to our collaborative culture, NREL stands out in the research community for its commitment to an affordable and secure energy future. Spanning foundational science to applied systems engineering and analysis, we focus on solving complex challenges to deliver advanced, secure, reliable, and cost-effective energy solutions. Our work helps strengthen U.S. industries, support job creation, and promote national economic growth.

At NREL, you’ll find a mission-driven environment supported by state-of-the-art facilities, multidisciplinary research teams, and strong collaborations with industry, academia, and other national laboratories. We offer robust professional development opportunities, and a competitive benefits package designed to support your career and well-being.

Job Description

The Microbiology and Biochemistry group at NREL is seeking a full-time intern specializing in molecular modeling to support ongoing projects in computational biology.

Key responsibilities include:

• Utilize high-performance computing resources to perform protein structure predictions, ligand docking (diffdock, autodock) and explore dynamics of enzyme-substrate complexes in solvated environments
• Set up and run molecular dynamics simulations (using AMBER or CHARMM or NAMD)
• Develop and contribute code for high-throughput computational simulations, data analysis, visualization and software development. Develop and execute scripts with Python, Jupyter Notebooks, and Bash to automate computational workflows
• Visualize and analyze protein structures and simulation outputs using tools such as PyMOL, Chimera, VMD, rosetta, alphafold, diffdock and matplotlib
• Document findings, assist in preparing reports, and communicate results effectively to the team

This position provides an excellent opportunity to gain practical experience and domain knowledge in protein engineering, molecular modeling and software development while working closely with a collaborative research team. The candidate will get access to state-of-the art high-performance computing (HPC) clusters onsite.

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Basic Qualifications

Minimum of a 3.0 cumulative grade point average.

Undergraduate: Must be enrolled as a full-time student in a bachelor’s degree program from an accredited institution.
Post Undergraduate: Earned a bachelor’s degree within the past 12 months. Eligible for an internship period of up to one year.

Graduate: Must be enrolled as a full-time student in a master’s degree program from an accredited institution.
Post Graduate: Earned a master’s degree within the past 12 months. Eligible for an internship period of up to one year.
Graduate + PhD: Completed master’s degree and enrolled as PhD student from an accredited institution.

Please Note:
• Applicants are responsible for uploading official or unofficial school transcripts, as part of the application process.
• If selected for position, a letter of recommendation will be required as part of the hiring process.
• Must meet educational requirements prior to employment start date.

* Must meet educational requirements prior to employment start date.

Additional Required Qualifications

• Currently enrolled in or recently graduated from a Bachelor’s or Master’s program in Computational Biology, Bioinformatics, Chemistry, Computer science or a related field, OR currently enrolled in a PhD program in these fields
• Experience with molecular modeling techniques, such as molecular dynamics simulations, quantum mechanics, protein structure prediction, and docking
• Proficiency with at least one or more molecular modeling and visualization tools such as (e.g., PyMOL, Chimera and/or VMD). Experience with jupyter notebooks, matplotlib etc. for data analysis and visualizations
• Expertise in using protein structure, ligand binding prediction tools such as (alphafold2, rosetta, rfdiffusion, boltz, diffdock, autodock etc.)
• Proficiency in at least one molecular dynamics simulation packages (CHARMM, AMBER, NAMD etc.)
• Demonstrated experience with coding skills in Python and/or Bash
• Proficiency and experience with Linux-based operating systems, and/or HPC environments
• Strong organizational skills, attention to detail, and the ability to work collaboratively in a team environment

Preferred Qualifications

• Experience with advanced molecular modeling techniques and software
• Knowledge of scripting for custom analyses of molecular modeling data
• Experience building/using machine learning models based on protein sequence/structure data or modeling data
• Knowledge of python programming for software development and machine learning 
• Experience developing python code for machine learning and performing high-throughput molecular dynamics simulations would be highly valued

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Job Application Submission Window

The anticipated closing window for application submission is up to 30 days and may be extended as needed.

Annual Salary Range (based on full-time 40 hours per week)

Job Profile: / Annual Salary Range: $43,700 - $69,900

NREL takes into consideration a candidate’s education, training, and experience, expected quality and quantity of work, required travel (if any), external market and internal value, including seniority and merit systems, and internal pay alignment when determining the salary level for potential new employees. In compliance with the Colorado Equal Pay for Equal Work Act, a potential new employee’s salary history will not be used in compensation decisions.

Benefits Summary

Benefits include medical, dental, and vision insurance; 403(b) Employee Savings Plan with employer match*; and sick leave (where required by law). NREL employees may be eligible for, but are not guaranteed, performance-, merit-, and achievement- based awards that include a monetary component. Some positions may be eligible for relocation expense reimbursement. Internships projected to be less than 20 hours per week are not eligible for medical, dental, or vision benefits.

* Based on eligibility rules

Badging Requirement

NREL is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as required by Homeland Security Presidential Directive 12 (HSPD-12), which includes a favorable background investigation. Intern assignments extending beyond six months will be subject to this requirement.

Drug Free Workplace

NREL is committed to maintaining a drug-free workplace in accordance with the federal Drug-Free Workplace Act and complies with federal laws prohibiting the possession and use of illegal drugs. Under federal law, marijuana remains an illegal drug.

If you are offered employment at NREL, you must pass a pre-employment drug test prior to commencing employment. Unless prohibited by state or local law, the pre-employment drug test will include marijuana. If you test positive on the pre-employment drug test, your offer of employment may be withdrawn.

Submission Guidelines

Please note that in order to be considered an applicant for any position at NREL you must submit an application form for each position for which you believe you are qualified. Applications are not kept on file for future positions. Please include a cover letter and resume with each position application.

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Equal Opportunity Employer

All qualified applicants will receive consideration for employment without regard basis of age (40 and over), color, disability, gender identity, genetic information, marital status, domestic partner status, military or veteran status, national origin/ancestry, race, religion, creed, sex (including pregnancy, childbirth, breastfeeding), sexual orientation, and any other applicable status protected by federal, state, or local laws.

Reasonable Accommodations

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