Computational Scientist for Electronic Structure Method Development

Posting TitleComputational Scientist for Electronic Structure Method Development.LocationCO - Golden.Position TypeRegular.Hours Per Week40.Working at NLRNLR is 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 Laboratory of the Rockies (NLR), where world-class scientists, engineers, and experts are accelerating energy innovation through breakthrough research and systems integration. From our mission to our collaborative culture, NLR 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 NLR, 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 DescriptionThe National Laboratory of the Rockies (NLR) is seeking an accomplished Questaal developer within the Computational Science Center (CSC). The CSC Computational Science Center conducts research to advance scientific computing, as well as data scientific, computer science, and AI/ML. This position will support and further the capabilities of Questaal, a Green's function based community code hosted by NLR and the department of energy. Questaal's specialty is a self-consistent form of many-body perturbation theory. Key future directions will focus on advancing its capability for response functions, the dynamics that connect lattice and electronic degrees of freedom, and to advance our ability to understand and predict properties of superconductors.These directions include extending finite-time correlation capabilities in real time through modern field-theoretic formulations that can be integrated into production workflows.The position will require a combination of technical, managerial, and interpersonal skills, including collaboration and stakeholder engagement, technical communication, conflict resolution, and mentorship and talent development.From a technical side, the duties include:Maintain current capabilities, answer questions and resolve issues posted from the user base.Develop new functionality in concert with NLR staff, to meet the needs of existing objectives. This includes contributing to the advancement of new ideas/methodologies, that advance the aims of NLR's scientific programs that use Questaal.Integrate new capabilities developed by staff and other users and optimize them so they run efficiently on multiple machine architectures.Work with staff on scientific studies, advancing computational capabilities they need to make it possible to address current scientific questions.Develop and validate methods for finite-time and nonequilibrium electronic correlation dynamics, including real-time formulations that complement existing frequency-domain capabilities..Basic QualificationsRelevant PhD . Or, relevant Master's Degree and 3 or more years of experience . Or, relevant Bachelor's Degree and 5 or more years of experience . Demonstrates complete understanding and wide application of scientific technical procedures, principles, theories and concepts in the field. General knowledge of other related disciplines. Demonstrates leadership in one or more areas of team, task or project lead responsibilities. Demonstrated experience in management of projects. Very good technical writing, interpersonal and communication skills.* Must meet educational requirements prior to employment start date.Additional Required QualificationsDemonstrated success in leading or contributing to proposal development and securing fundingStrong analytical skills and creative thinking abilities.Evidence of impactful ideas realized in code, publications, benchmarks, or deployed capabilities; willingness to iterate, learn from failure, and refine designs.Track record of research and/or technology innovation in computational science or related discipline.Good customer and solution-oriented problem-solving skills.Ability to lead and influence across organizational boundaries in a matrixed research environmentAbility to develop and maintain positive relationships internally to NLR and externally with sponsors and research partners.Good oral and written communication skillsPreferred QualificationsAbility to bridge gaps between domain language (engineering, science) and computing solution language.Experience maintaining highly active code bases using versioning software (e.g., Git)Ability to lead and direct personnel with diverse skills, work styles, and valuesExperience working on high-performance computing (HPC) systems, experience developing modules for HPC users.Job Application Submission WindowThe 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: Researcher III / Annual Salary Range: $83,600 - $150,500NLR 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 SummaryBenefits include medical, dental, and vision insurance; short*- and long-term disability insurance; pension benefits*; 403(b) Employee Savings Plan with employer match*; life and accidental death and dismemberment (AD&D) insurance; personal time off (PTO) and sick leave; paid holidays; and tuition reimbursement*. NLR 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. Limited-term positions are not eligible for long-term disability or tuition reimbursement.* Based on eligibility rulesBadging RequirementNLR 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.Drug Free WorkplaceNLR 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 NLR, 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 GuidelinesPlease note that in order to be considered an applicant for any position at NLR 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..Equal Opportunity EmployerAll 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 AccommodationsE -Verify For information about right to workE-Verify is a registered trademark of the U.S. Department of Homeland Security. This business uses E-Verify in its hiring practices to achieve a lawful workforce. #J-18808-Ljbffr National Renewable Energy Laboratory