Computational Scientist for Electronic Structure Method Development
About The Position
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.
Requirements
- 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.
- Demonstrated success in leading or contributing to proposal development and securing funding
- Strong 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 environment
- Ability to develop and maintain positive relationships internally to NLR and externally with sponsors and research partners.
- Good oral and written communication skills
Nice To Haves
- Ability 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 values
- Experience working on high-performance computing (HPC) systems, experience developing modules for HPC users
Responsibilities
- 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.
Benefits
- 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
- tuition reimbursement
- performance-, merit-, and achievement- based awards that include a monetary component
- relocation expense reimbursement
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What This Job Offers
Job Type
Full-time
Career Level
Senior
