Data Scientist 5

Overview

At PNNL, our core capabilities are divided among major departments that we refer to as Directorates within the Lab, focused on a specific area of scientific research or other function, with its own leadership team and dedicated budget.

Our Science & Technology directorates include National Security, Earth and Biological Sciences, Physical and Computational Sciences, and Energy and Environment. In addition, we have an Environmental Molecular Sciences Laboratory, a Department of Energy, Office of Science user facility housed on the PNNL campus.

The Physical and Computational Sciences Directorate's (PCSD’s) strengths in experimental, computational, and theoretical chemistry and materials science, together with our advanced computing, applied mathematics and data science capabilities, are central to the discovery mission we embrace at PNNL. But our most important resource is our people—experts across the range of scientific disciplines who team together to take on the biggest scientific challenges of our time.

The Department of Energy’s Advanced Scientific Computing Research program is an international leader in supercomputing, high-end computational science, and advanced networking for science. Computer scientists and mathematicians at PNNL study the capabilities and constraints of emerging computing technologies to tackle the largest problems in science and develop the technology of the future. At PNNL, advanced computing includes Exascale applications, quantum information sciences, data science and analytics, artificial intelligence, and machine learning. Many of these multi-disciplinary efforts build on our leadership in co-design collaborations with the computer industry.

Responsibilities

The Advanced Computing, Mathematics, and Data Division at PNNL seeks a Chief Scientist to lead and grow world-class research in artificial intelligence and autonomous systems for scientific discovery. This is a high-impact leadership opportunity to set and execute a national vision for AI-driven autonomy in science, leveraging leadership-class computing, advanced algorithms, and deeply integrated experimental and simulation capabilities. You will join and help shape a multi-disciplinary team advancing the state of the art in AI for autonomous control, optimization, and decision-making in chemistry, materials science, nuclear physics, and high-energy physics.

The Chief Scientist will be responsible for expanding PNNL’s leadership in AI and autonomy by driving new capabilities in uncertainty-aware AI, generative models for complex systems, reinforcement learning for scientific facility operations, and physics-informed machine learning at scale. The successful candidate will have demonstrated national-level leadership in DOE AI and autonomy initiatives, large-scale scientific collaborations, and multi-institutional programs. Relevant experience includes one or more of the following: autonomous control of experimental systems; scalable AI/ML workflows for modeling, simulation, and data analysis; integration of AI with accelerator, detector, or advanced materials characterization platforms; and deployment of AI methods on high-performance and distributed computing environments.

As Chief Data Scientist, you will guide the design and delivery of intelligent, integrated systems that couple modeling, simulation, sensing, and control to accelerate scientific outcomes. You will lead initiatives deploying AI for closed-loop optimization of experiments, predictive facility operations, autonomous discovery workflows, and real-time decision-making, building on experience with high-profile DOE projects. Your work will directly advance capabilities in accelerator tuning, materials synthesis optimization, reaction pathway discovery, and detector performance enhancement.

You will be expected to publish in leading peer-reviewed journals, present at top-tier scientific and AI conferences, and serve in leadership roles within the national and international AI-for-science community. You will work closely with computational scientists, chemists, physicists, engineers, and applied mathematicians at PNNL, across DOE laboratories, and with other global research institutions and industry. The role includes mentoring postdoctoral researchers and early career staff to cultivate the next generation of leaders in AI and autonomy for science. Strong communication skills, strategic vision, and a proven record of uniting diverse teams to deliver high-impact scientific outcomes are essential for success.

Designs, develops, and implements methods, processes, and systems to analyze diverse data. Applies knowledge of statistics, machine learning, advanced mathematics, simulation, software development, and data modeling to integrate and clean data, recognize patterns, address uncertainty, pose questions, and make discoveries from structured and/or unstructured data. Produces solutions driven by exploratory data analysis from complex and high-dimensional datasets. Designs, develops, and evaluates predictive models and advanced algorithms that lead to optimal value extraction from the data. Demonstrates ability to transfer skills across application domains.

Qualifications

Minimum Qualifications:

• BS/BA and 9+ years of relevant work experience -OR-
• MS/MA and 7+ years of relevant work experience -OR-
• PhD with 5+ years of relevant experience

Preferred Qualifications:

• PhD in Physics, Computer Science, Applied Mathematics, or a related scientific or engineering discipline, with 20+ years of research experience of advancing AI, data science, and high-performance computing for scientific discovery.

• Deep expertise in AI for science at scale, including uncertainty-aware machine learning, generative AI, reinforcement learning, physics-informed ML, and scalable workflows for complex physical systems. including particle accelerators, chemical dynamics, distributed computing.

• Demonstrated ability to translate advanced AI/ML research into operational solutions that accelerate scientific discovery across multiple domains.

• Experience developing and deploying AI/ML capabilities on advanced computing resources such as Leadership Computing Facilities, enabling substantial improvements in modeling, simulation, and data processing.

• Proven success as Principal Investigator or Co-PI on major federally funded research efforts (DOE, NSF, DARPA, etc.), with a strong track record of securing competitive awards and building sustained national and international collaborations.

• 10+ years of experience in senior leadership roles for multi-disciplinary research programs in AI/ML for science within national laboratory or equivalent settings, including directing large, diverse teams to deliver impactful outcomes.

• Recognized leadership in DOE AI initiatives and workshops, and active engagement with leading US national laboratories and research institutions worldwide. Contributions to development of strategic AI for science roadmaps that align with national priorities and deliver measurable scientific impact.

• Extensive record of peer-reviewed publications in top AI conferences/journals, invited talks, and leadership roles in scientific organizing committees and program development activities.

• Commitment to mentoring and developing early-career staff, fostering inclusive and collaborative research environments, with mentees achieving fellowships, leadership roles, and high-impact scientific results.

• Commitment to inclusive research practices, scientific integrity, and collaborative team culture.

Hazardous Working Conditions/Environment

Not Applicable

Additional Information

“Referral Eligible”

Testing Designated Position

This is not a Testing Designated Position (TDP).

About PNNL

Pacific Northwest National Laboratory (PNNL) is a world-class research institution powered by a highly educated, diverse workforce committed to the values of Integrity, Creativity, Collaboration, Impact, and Courage. Every year, scores of dynamic, driven people come to PNNL to work with renowned researchers on meaningful science, innovations and outcomes for the U.S. Department of Energy and other sponsors; here is your chance to be one of them!

At PNNL, you will find an exciting research environment and excellent benefits including health insurance, and flexible work schedules. PNNL is located in eastern Washington State—the dry side of Washington known for its stellar outdoor recreation and affordable cost of living. The Lab’s campus is only a 45-minute flight (or ~3 hour drive) from Seattle or Portland, and is serviced by the convenient PSC airport, connected to 8 major hubs.

Commitment to Excellence and Equal Employment Opportunity

Our laboratory is committed to fostering a work environment where all individuals are treated with fairness and respect while solving critical challenges in fundamental sciences, national security, and energy resiliency. We are an Equal Employment Opportunity employer.

Pacific Northwest National Laboratory considers all applicants for employment without regard to race, religion, color, sex (including pregnancy, sexual orientation, and gender identity), national origin, age, disability, genetic information (including family medical history), protected veteran status, and any other status or characteristic protected by federal, state, and/or local laws.

We are committed to providing reasonable accommodations for individuals with disabilities and disabled veterans in our job application procedures and in employment. If you need assistance or an accommodation due to a disability, contact us at ... .

Drug Free Workplace

PNNL is committed to a drug-free workplace supported by Workplace Substance Abuse Program (WSAP) and complies with federal laws prohibiting the possession and use of illegal drugs.

If you are offered employment at PNNL, you must pass a drug test prior to commencing employment. PNNL complies with federal law regarding illegal drug use. Under federal law, marijuana remains an illegal drug. If you test positive for any illegal controlled substance, including marijuana, your offer of employment will be withdrawn.

Security, Credentialing, and Eligibility Requirements

In accordance with Homeland Security Presidential Directive 12 (HSPD-12) and Department of Energy (DOE) Order 473.1A, new employees are required to obtain and maintain a HSPD-12 Personal Identity Verification (PIV) Credential. To obtain this credential, new employees must successfully complete and pass a Federal Tier 1 background check investigation. This investigation includes a declaration of illegal drug activities, including use, supply, possession, or manufacture within the last year. This includes marijuana and cannabis derivatives, which are still considered illegal under federal law, regardless of state laws.

For foreign national candidates:

If you have not resided in the U.S. for three consecutive years, you are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO)risk determination to maintain employment. Once you meet the three-year residency requirement, you will be required to obtain a PIV credential to maintain employment.

Mandatory Requirements

Please be aware that the Department of Energy (DOE) prohibits DOE employees and contractors from having any affiliation with the foreign government of a country DOE has identified as a “country of risk” without explicit approval by DOE and Battelle. If you are offered a position at PNNL and currently have any affiliation with the government of one of these countries, you will be required to disclose this information and recuse yourself of that affiliation or receive approval from DOE and Battelle prior to your first day of employment.

Rockstar Rewards

Employees and their families are offered medical insurance, dental insurance, vision insurance, robust telehealth care options, several mental health benefits, free wellness coaching, health savings account, flexible spending accounts, basic life insurance, disability insurance*, employee assistance program, business travel insurance, tuition assistance, relocation, backup childcare, legal benefits, supplemental parental bonding leave, surrogacy and adoption assistance, and fertility support. Employees are automatically enrolled in our company-funded pension plan* and may enroll in our 401 (k) savings plan with company match*. Employees may accrue up to 120 vacation hours per year and may receive ten paid holidays per year.

* Research Associates excluded.

**All benefits are dependent upon eligibility.

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Notice to Applicants

PNNL lists the full pay range for the position in the job posting. Starting pay is calculated from the minimum of the pay range and actual placement in the range is determined based on an individual’s relevant job-related skills, qualifications, and experience. This approach is applicable to all positions, with the exception of positions governed by collective bargaining agreements and certain limited-term positions which have specific pay rules.

As part of our commitment to fair compensation practices, we do not ask for or consider current or past salaries in making compensation offers at hire. Instead, our compensation offers are determined by the specific requirements of the position, prevailing market trends, applicable collective bargaining agreements, pay equity for the position type, and individual qualifications and skills relevant to the performance of the position.

Minimum Salary

USD $188,400.00/Yr.
Maximum Salary

USD $318,000.00/Yr.