Pacific Northwest National Laboratory Jobs

Job Information

Pacific Northwest National Laboratory Computational Chemist/Data Scientist in RICHLAND, Washington

Organization and Job ID

Job ID: 310562

Directorate: Earth & Biological Sciences

Division: Biological Sciences Division

Group: Exposure Science

Job Description

The Biological System Science (BSS) Group in the Biological Sciences Division of the Pacific Northwest National Laboratory (PNNL) is seeking one or more staff scientists (Assistant or Associate Professor equivalent) with multidisciplinary experience in computational chemistry, cheminformatics, advanced statistics and/or machine learning/deep learning/AI. Successful candidates will join a large, uniquely collaborative, collegial group of innovators driving the integration of data science, computational science and analytical chemistry to solve the nation’s most challenging problems in human health, chemical forensics, and national security.

Candidates are expected to lead existing projects as well as help grow the program by inspiring innovations that accelerate discovery of groundbreaking computational methods in high throughput small molecule identification and lead submission of competitive grants to a broad sponsor space. The BSS Group is diverse and inclusive, working closely with colleagues across the laboratory with expertise in computational biology, integrative omics, applied mathematics, computer science, and statistics. Preferred candidates will have a broad understanding of the state of computational metabolomics and experience in designing and implementing novel deep learning networks for chemistry applications.

These positions have the responsibilities and expectations of an assistant or associate professor or professor: Will establish and grow scientific programs, built multi-disciplinary teams across the research organization, contribute to ongoing research programs, mentor and grow junior staff, establish or maintain a national reputation, build collaborations and train post-docs and students. While this position is equivalent to an associate professor or professor position, PNNL itself does not have titled professor positions. PNNL actively supports joint appointments with academic institutions across the U.S.

Discipline, principal job duties/expectations, and qualitative and quantitative measures of performance that exceed the Functional Descriptor:

Responsibilities include:

  • Selects and develops technical approaches on assignments with occasional oversight on complex problems. Principal investigator or co-PI on projects or tasks, while integrating capabilities of work team members. Supports/takes lead in scoping, scheduling, and budgeting at a project or major task level. Generates new ideas for proposals and business development opportunities while leading development of technical section of small to medium proposals. Demonstrates ability to acquire funding for self with programmatic impact at the sector and division level. Serves as a role model for quality.

  • Develops and optimizes capabilities at the division level. Develops external reputation. Builds/leads effective project teams with membership across a group, S&E domain and/or directorate. Contributes to the local organization through mentorship of junior staff and taking on operational assignments.

  • Leads organizational teams that proactively identify and promote new capabilities within a division and S&E domain and advance the directorate.

The hiring level will be determined based on the education, experience and skill set of the successful candidates based on the following:

Level 3: Manages small to moderate projects and/or major project tasks. Integrates intellectual and technical capabilities of work teams. Enhances technical/professional skills of junior staff through active mentoring and training. Generates ideas for new proposals and participates in business development activities.

Level 4: Conceives, plans, and executes R&D with considerable influence on scientific and technological developments. Displays considerable leadership in defining scientific and technical objectives across programs. Leads in the capture, planning, and technical execution of complex interdisciplinary projects and programs across organizational boundaries with lab level impact, and outside of the laboratory.

Minimum Qualifications

  • BS with 5+ years of experience, or MS with 3+ years of experience, or PhD with 1+ years of experience in computational chemistry, machine learning, chemical engineering, or related field.

  • Demonstrated success in training scientists/students in computational chemistry, metabolomics, mass spectrometry, or computational metabolomics.

  • Work history of leading interdisciplinary teams to develop and execute project or major task research projects.

  • Strong publication record

  • Intermediate to expert-level programming and high-performance computing experience.

Preferred Qualifications

  • PhD in computational chemistry, chemical engineering, or related field with 3+ years of independent research experience.

  • U.S. Citizenship, potential for obtaining a security clearance.

  • Nationally recognized scientific leadership.

  • Demonstrated track record of successful/funded proposals.

  • Strong verbal and written communications skills.

  • Experience coding in Python, using NWChem, Gaussian, or comparable software.

Equal Employment Opportunity

Battelle Memorial Institute (BMI) at Pacific Northwest National Laboratory (PNNL) is an Affirmative Action/Equal Opportunity Employer and supports diversity in the workplace. All employment decisions are made without regard to race, color, religion, sex, national origin, age, disability, veteran status, marital or family status, sexual orientation, gender identity, or genetic information. All BMI staff must be able to demonstrate the legal right to work in the United States. BMI is an E-Verify employer. Learn more at

Please be aware that the Department of Energy (DOE) prohibits DOE employees and contractors from participation in certain foreign government talent recruitment programs. If you are offered a position at PNNL and are currently a participant in a foreign government talent recruitment program you will be required to disclose this information before your first day of employment.

Directorate: Earth & Biological Sciences

Job Category: Scientists/Scientific Support

Group: Exposure Science

Opening Date: 2020-02-25

Closing Date: 2020-05-24