SC20 Is Everywhere We Are

SC20 Virtual Platform
Group Leader, Advanced Computing for Chemistry and Materials
Oak Ridge National Laboratory
Oak Ridge
SessionJob Fair
Event Type
Job Posting
Registration Categories
TimeMonday, 9 November 20209am - 8pm EST

We are seeking a Group Leader for the Advanced Computing for Chemistry and Materials group within the Science Engagement section in the National Center for Computational Sciences (NCCS). Selection will be based on qualifications, relevant experience, skills, and education. NCCS Provides state-of-the-art computational and data science infrastructure coupled with dedicated scientific and technical professionals tackling large-scale problems across a broad range of scientific domains for accelerating scientific discovery and engineering advances. NCCS hosts the Oak Ridge Leadership Computing Facility, one of DOE’s National User Facilities.


The Advanced Computing for Chemistry and Materials Group Leader will provide Research and Development (R&D) leadership to the group that strategically advances the groups research portfolio consistent with ORNL’s aspiration to be the world’s premier R&D institution and ORNL’s science culture.

The Group Leader leads a group of chemistry and materials science researchers with the primary goal of pursuing global scientific leadership in these fields, nurtures ORNL’s culture among group members, and continues to build and scale up individual excellence and impact in R&D. The Group Leader reports to and works closely with the Science Engagement Section Head to implement the group’s scientific vision; develops group members to enable their career advancement; establishes capabilities that enable programs to excel at the forefront of science and technology; performs independent and collaborative R&D to advance the fields of chemistry or materials science; sets, implements, and models standards for performance of work consistent with Environment, Safety, Security, Health, and Quality (ESH&Q) requirements and business rules; and ensures a diverse and inclusive work environment where every employee feels safe, heard, and appreciated—a workplace that sets an example for the broader community.


We seek a scientist from the broad field of materials science and/or chemistry who is a recognized leader in their scientific discipine. They initiate, lead and perform independent R&D on an ongoing basis. The Group Leader will partner with scientific domain experts and help them obtain optimal results from the NCCS’s computational resources and systems.

Major Duties/Responsibilities:


Develop a vision and implement a cohesive group research strategy to ensure the success of new and ongoing research projects to position the group for future success.
Work closely with the NCCS leadership computing user community as partners in projects to exploit the resources of the NCCS effectively and efficiently. This includes partnering with large user program projects in moving data and programs into and out of the NCCS computational environment, developing, porting, and scaling applications and algorithms for NCCS computers, tuning applications for high performance, and scheduling applications to execute at scale to meet the scientific capability needs of the users.
Assist in capability planning exercises and in defining requirements for, and assisting in the development of system software, libraries and tools that meet the materials science and chemistry communities’ needs.
Participate in high-performance-computing community-wide efforts to design new methodologies, workflows, tools, and other contributions that will advance the state of the art in computational science.
Lead appropriate computational science research proposals with ORNL and external collaborators that allow for the conduct of scientific research that will be reported on in journals, technical manuals, and conferences.
Develop and implement plans to exploit new opportunities and/or expand existing efforts.
Assist staff in setting performance goals consistent with the group’s strategy and members’ long-term career goals. Provide feedback to address performance issues in a timely manner.
Provide relevant input to assist the R&D Section Head with staff development while providing direct and impactful guidance to staff on regular basis.
Attract a quality, diverse pool of top candidates and hire staff members who are committed to world-class R&D and aspire to be the best in their field.
Lead by example by exercising the principles in ORNL’s “Research Code of Conduct” as a guide for proposing, performing, and communicating research.
Coach and mentor staff regarding Battelle’s “Safe Conduct of Research” principles
Lead ESH&Q by example and ensure all work is carried out safely, securely, and in compliance with ORNL policies, standards, and procedures.
Exemplify a commitment to “One ORNL” by modeling lab expectations for excellence in research, operations, and community engagement, and by working cooperatively to leverage capabilities across the lab.


Serve as immediate supervisor for staff members in group.
Encourage staff to “think and dream big,” take appropriate risks in their work, and develop skills that will enable them to pursue new ideas, scientific passions, and research programs.
Advance the reputation of the group members and standing of the group as a whole through establishing collaborations, Professional Society leadership and involvement, and organization of technical events.
Support group members by consistently reviewing technical products such as proposals, publications, and artifacts to ensure high quality and consistency with ORNL standards.
Build strong teams across ORNL.
Connect staff to your scientific network and professional societies.
Hold regular scientific/technical group meetings and be visible in the labs and workplace.
Assume front-line responsibility for safety in the group’s laboratory; mentor and empower the Laboratory Space Managers to create a strong safety culture.
Effectively communicate the importance of protecting proprietary or sensitive information and complying with ORNL cybersecurity policies and guidelines.


To group staff, for the quality and safety of their work environment and opportunity for professional growth.
To R&D section head, for world-leading science and technology directions, safe effective, and compliant operations, ownership of assigned staff, facilities, and equipment, and the quality of products and services.
To customer, for the quality of products and service


Develop a vision and implement a strategy to pursue world-leading science and technology directions for the R&D group.
Hold staff accountable for performance
Act to ensure safe and effective operations
Hire staff
Certify the technical quality of the group’s products and services

Basic Qualifications:

Requires a Ph.D. with a minimum of 6 years relevant experience, a M.S. with a minimum of 12 years experiences, B.S. with 15 years experience.
Qualified candidates should have demonstrated experience in leading R&D teams
Demonstrated R&D experience in chemistry, materials science, or a relevant scientific domain and knowledge of high performance computing and scalable data analytics or deep learning

Preferred Qualifications:

Qualified candidates should have demonstrated management experience
History of engagement with Department of Energy and national laboratory complex, particularly leadership class computing
Exceptional communication, planning, collaboration, and customer service skills.

Relocation: Moving can be overwhelming and expensive. UT-Battelle offers a generous relocation package to ease the transition process. Domestic and international relocation assistance is available for certain positions. If invited to interview, be sure to ask your Recruiter (Talent Acquisition Partner) for details.

For more information about our benefits, working here, and living here, visit the “About” tab at
Back To Top Button