Chemist - Cheminformatics

Battelle delivers when others can’t. We conduct research and development, manage national laboratories, design and manufacture products and deliver critical services for our clients—whether they are a multi-national corporation, a small start-up or a government agency.We recognize and appreciate the value and contributions of individuals from a wide range of backgrounds and experiences and welcome all qualified individuals to apply. Job SummaryWe are currently seeking a Chemist – Cheminformatics. This position is a full-time opportunity located in the Washington, DC Metro Area.Battelle's Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Business Line is seeking a skilled and motivated Chemist – Cheminformatics to support work at a client facility. The selected candidate will apply expertise in cheminformatics, computational chemistry, and data science to analyze complex chemical datasets and deliver actionable results in support of critical government programs.This role requires strong technical proficiency in cheminformatics workflows, experience with high-resolution mass spectrometry data, and the ability to work effectively in a dynamic, mission-driven environment.ResponsibilitiesAs a Chemist – Cheminformatics, the selected individual will apply advanced computational and chemical expertise to support high-priority government programs. Responsibilities may include:Evaluate, maintain, troubleshoot, and implement approved software updates to tools, workflows, and computational capabilitiesConduct technical data reviews, analyze and interpret data, form conclusions, and produce technical correspondence, reports, and briefingsSupport administrative tasks that ensure smooth project operations and timely deliveryPresent findings and technical updates to internal teams, collaborators, and external partnersKey QualificationsMaster's degree with 5+ years of relevant experience, or a PhD with 1+ years of relevant experienceExperience applying cheminformatics tools and workflows for chemical structure management, compound annotation, and molecular property predictionProficiency with chemical databases and repositories (e.g., PubChem, ChemSpider, EPA CompTox, NIST, MassBank, mzCloud, GNPS) for compound identification and characterizationExperience using molecular structure representations, including SMILES, InChI, and molecular fingerprints, for computational analysesFamiliarity with open-source cheminformatics platforms such as RDKit, Open Babel, and CDK for chemical data processing and analysisExperience developing computational workflows to support non-targeted analysis (NTA), suspect screening analysis (SSA), and unknown chemical identification from high-resolution mass spectrometry (HRMS) datasetsKnowledge of spectral library searching, in silico fragmentation prediction, formula generation, and confidence scoring approaches for compound identificationExperience integrating mass spectrometry data with cheminformatics and machine learning approaches to improve chemical annotation and prioritizationProficiency in Python-based data science and cheminformatics workflows using packages such as RDKit, Pandas, NumPy, SciPy, and Scikit-learnExperience automating chemical data processing pipelines and managing large analytical datasets in cloud or high-performance computing environmentsFamiliarity with statistical, multivariate, and machine learning methods for pattern recognition, classification, and prediction of chemical behaviorsExperience visualizing complex chemical and analytical data through dashboards, network analysis, and interactive reporting toolsMust be a U.S. citizen with an active TS/SCI clearance with polygraphCompensation DataBattelle is committed to fair and equitable compensation practices. The salary range for this role is $100,000 – $135,000 per year, in addition to our comprehensive benefits package. A candidate's salary is determined by various factors, including but not limited to education, relevant work experience, skills, and certifications. Salary ranges may vary based on geographic location and market conditions.Benefits: Live an Extraordinary LifeWe care about your well-being, not just on the job. Battelle offers comprehensive and competitive benefits to help you live your best life.Balance life through a compressed work schedule: Most of our team follows a flexible, compressed work schedule that allows for every other Friday off—giving you a dedicated day to accomplish things in your personal life without using vacation time.Enjoy enhanced work flexibility, including a hybrid arrangement: You have options for where and when you work. Our Together with Flexibility model allows you to work 60% in-office and 40% remote, with Monday and Tuesday as common in-office days, dependent on team and position needs.Take time to recharge: You get paid time off to support work-life balance and keep motivated.Prioritize wellness: Stay healthy with medical, dental, and vision coverage with wellness incentives and benefits plus a variety of optional supplemental benefits.Better together: Coverage for partners, gender-affirming care and health support, and family formation support.Build your financial future: Build financial stability with an industry-leading 401(k) retirement savings plan. For most employees, we put in 5 percent whether you contribute or not, and match your contributions on top of that. Advance your education: Tuition assistance is available to pursue higher education.A Work Environment Where You SucceedFor brilliant minds in science, technology, engineering and business operations, Battelle is the place to do the greatest good by solving humanity’s most pressing challenges and creating a safer, healthier and more secure world.You will have the opportunity to thrive in a culture that inspires you to:Apply your talent to challenging and meaningful projects Receive select funding to pursue ideas in scientific and technological discoveryPartner with world-class experts in a collaborative environmentNurture and develop the next generation of scientific leadersGive back to and improve our communitiesVaccinations & Safety ProtocolsBattelle may require employees, based on job duties, work location, and/or its clients’ requirements to follow certain safety protocols and to be vaccinated against a variety of viruses, bacteria, and diseases as a condition of employment and continued employment and to provide documentation that they are fully vaccinated. If applicable, Battelle will provide reasonable accommodations based on a qualified disability or medical condition through the Americans with Disabilities Act or the Rehabilitation Act or for a sincerely held religious belief under Title VII of the Civil Rights Act of 1964 (and related state laws).Battelle is an equal opportunity employer. We provide employment and opportunities for advancement, compensation, training, and growth according to individual merit, without regard to race, color, religion, sex (including pregnancy), national origin, sexual orientation, gender identity or expression, marital status, age, genetic information, disability, veteran-status veteran or military status, or any other characteristic protected under applicable Federal, state, or local law. Our goal is for each staff member to have the opportunity to grow to the limits of their abilities and to achieve personal and organizational objectives. We will support positive programs for equal treatment of all staff and full utilization of all qualified employees at all levels within Battelle.The above statements are intended to describe the nature and level of work being performed by people assigned to this job. They are not intended to be an exhaustive list of all responsibilities, activities and skills required of staff members. No statement herein is intended to imply any authorities to commit Battelle unless special written permission is granted by Battelle's Legal Department.For more information about our other openings, please visit Job SummaryJob number: 76399Profession: Chemistry