Computational Biologist - Postdoctoral Researcher

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Are you interested in joining some of the brightest talent in the world to strengthen the United States’ security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.

We are dedicated to fostering a culture that values individuals, talents, partnerships, ideas, experiences, and different perspectives, recognizing their importance to the continued success of the Laboratory’s mission.

Pay Range

$118,884 Annually

NOTE: This is a two-year Postdoctoral appointment with the possibility of extension to a maximum of three years.

We have an opening for a highly motivated Postdoctoral Researcher to conduct research in protein engineering for biomaterials with expertise in molecular modeling and simulations of biological systems, multiscale molecular dynamics simulations, and extraction of protein function from dynamics. You will be an integral member of an interdisciplinary team working with computational chemists, and experimental chemists and biologists. You will be responsible for investigating the function, and change in function, for different designs of intrinsically disordered proteins (IDPs), and help design proteins to match desired material properties. You will present your work regularly and publish your research and findings, which includes occasional domestic travel. This position is in the Biochemical and Biophysical Systems group of the Biosciences and Biotechnology Division.

This position requires full-time on-site presence due to the nature of the work.

You will 

• Conduct advanced independent research to investigate the function of different intrinsically disordered proteins (IDPs) and subsequent changes to those proteins.
• Perform and automate high throughput multiscale molecular dynamics simulations to predict protein properties and implementation of a computational frameworks for further protein design.
• Develop new analytics to analyze results from complex biology experiments and simulations.
• Work and collaborate with external partners (Universities, Industry, other National Laboratories) to advance computational biology simulation efforts.
• Prepare complex and detailed progress reports to support project needs and deadlines. Prepare complex written analyses and verbal briefings, and present research results to sponsors.
• Develop new and innovative research methods relevant to the needs of Laboratory programs and/or external funding agencies.
• Contribute to proposals and statements of work.
• Publish research results in peer-reviewed scientific or technical journals and present results at external conferences, seminars and/or technical meetings, which require travel.
• Perform other duties as assigned.

• Must be eligible to access the Laboratory in compliance with Section 3112 of the National Defense Authorization Act (NDAA).  See Additional Information section below for details.
• PhD in computational biology, computational physics, computer science, or computational chemistry or equivalent combination of education and related experience.
• Knowledge and significant experience in protein function prediction, molecular dynamics simulations, multiscale simulations.
• Experience with simulation automation, high-throughput analysis, and function prediction of intrinsically disordered proteins (IDPs).
• Ability to work independently on defined research projects, as well as a member of a team with a diverse set of scientists, engineers, and other technical and administrative staff.
• Experience programming with Python, or C++, and expertise with the UNIX and high-performance computing environments.
• Ability to develop independent research projects as demonstrated through publication of peer-reviewed manuscripts.
• Ability to travel, as necessary, to interact with collaborators.

Qualifications We Desire

• Experience with CHARMM, Martini, and/or comparable force fields.
• Experience in machine learning.
• Experience in quantum mechanical calculation and hybrid quantum mechanics/ molecular mechanics (QM/MM) simulations.
• Experience in collaborating with experimental biologists.
• Experience in automated analysis and data visualization.

#LI-Onsite

Position Information

This is a Postdoctoral appointment with the possibility of extension to a maximum of three years, open to those who have been awarded a PhD at time of hire date.

Why Lawrence Livermore National Laboratory?

• Included in 2025 Best Places to Work by Glassdoor!
• Flexible Benefits Package
• 401(k)
• Relocation Assistance
• Education Reimbursement Program
• Flexible schedules (*depending on project needs)
• Our values - visit https://www.llnl.gov/inclusion/our-values

Security Clearance

None required.  However, if your assignment is longer than 179 days cumulatively within a calendar year, you must go through the Personal Identity Verification process.  This process includes completing an online background investigation form and receiving approval of the background check.  (This process does not apply to foreign nationals.) 

National Defense Authorization Act (NDAA)

The 2025 National Defense Authorization Act (NDAA), Section 3112, generally prohibits citizens of China, Russia, Iran and North Korea without dual US citizenship or legal permanent residence from accessing specific non-public areas of national security or nuclear weapons facilities.  The restrictions of NDAA Section 3112 apply to this position.  To be qualified for this position, Candidates must be eligible to access the Laboratory in compliance with Section 3112.

Pre-Employment Drug Test

External applicant(s) selected for this position must pass a post-offer, pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.

Wireless and Medical Devices

Per the Department of Energy (DOE), Lawrence Livermore National Laboratory must meet certain restrictions with the use and/or possession of mobile devices in Limited Areas. Depending on your job duties, you may be required to work in a Limited Area where you are not permitted to have a personal and/or laboratory mobile device in your possession.  This includes, but not limited to cell phones, tablets, fitness devices, wireless headphones, and other Bluetooth/wireless enabled devices.  

If you use a medical device, which pairs with a mobile device, you must still follow the rules concerning the mobile device in individual sections within Limited Areas.  Sensitive Compartmented Information Facilities require separate approval. Hearing aids without wireless capabilities or wireless that has been disabled are allowed in Limited Areas, Secure Space and Transit/Buffer Space within buildings.

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To learn more about recruitment scams: https://www.llnl.gov/sites/www/files/2023-05/LLNL-Job-Fraud-Statement-Updated-4.26.23.pdf

Equal Employment Opportunity

We are an equal opportunity employer that is committed to providing all with a work environment free of discrimination and harassment. All qualified applicants will receive consideration for employment without regard to race, color, religion, marital status, national origin, ancestry, sex, sexual orientation, gender identity, disability, medical condition, pregnancy, protected veteran status, age, citizenship, or any other characteristic protected by applicable laws.

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