Computational Scientist Electronic Structure Method Development

Position: Computational Scientist for Electronic Structure Method Development
Posting Title Computational Scientist for Electronic Structure Method Development.

Location CO - Golden.

Position Type Regular.

Hours Per Week
40.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 Description The 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 Qualifications Relevant 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 Qualifications Demonstrated success in leading or contributing to proposal development and securing funding

Strong analytical skills and creative thinking abilities.

Evidence of impactful ideas…