24.08.27 Postdoctoral Research Associate - Computational Chemistry

Postdoctoral Research Associate - Computational Chemistry

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Overview : Oak Ridge National Laboratory is the largest US Department of Energy Science and Energy Laboratory, conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.

We are seeking a Postdoctoral Research Associate who will support the Advanced Computing for Chemistry & Materials in the National Center for Computational Sciences (NCCS), Computing and Computational Sciences Directorate (CCSD) at Oak Ridge National Laboratory (ORNL) to perform leading-edge computational chemistry research and development for molecular electronic structure and applications in catalysis, 3d metal chemistry, electronic properties.

This role will involve performing large-scale simulations using high performance computing (HPC) resources of Oak Ridge Leadership Facility.

Coding in common HPC programming languages and GPU programming are desirable. Close collaborations are expected with researchers from across ORNL with expertise in chemical separations, materials, and spectroscopy.

The successful candidate will be mentored and teamed with staff in the National Center for Computational Sciences.

Major Duties / Responsibilities :

• Apply and improve advanced computational methodologies to calculate and optimize molecular properties.
• Conduct collaborative research and report results in journal publications, conference papers and technical manuals.
• Debug, profile, and tune computational chemistry codes for high performance.
• Develop and apply advanced, compute-intensive computational chemistry methodologies to study the fundamental properties of molecules.
• Deliver ORNL's mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service.
• Promote diversity, equity, inclusion, and accessibility by fostering a respectful workplace in how we treat one another, work together, and measure success.

Basic Qualifications :

• A Ph.D. in computational chemistry, physics or related field completed within the last five years.
• Background in theoretical and computational quantum chemistry or chemical physics, with experience in the application of correlated electronic structure methods.
• Basic understanding of parallel application development techniques (parallel programming models, algorithms, and software).

Preferred Qualifications :

• Excellent interpersonal skills, oral and written communication skills, organizational skills, and strong personal motivation are necessary.
• The ability to work in a dynamic, team environment is required.
• Experience in contributing to one or more prominent computational quantum chemistry packages, such as DIRAC, MOLFDIR, NWChem, ACES, ORCA, MPQC, or GAMESS, is highly desirable.
• Familiar with common scientific programming languages such as C / C++ and FORTRAN (preferably modern FORTRAN) and have a demonstrated experience in parallel programming with one or more common parallel programming models, like MPI, PGAS, OpenMP, CUDA, OpenCL, and OpenACC.
• Experience in heterogeneous programming (for example, GPU programming) and / or developing, debugging, and profiling massively parallel codes is a plus.
• Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs.
• Background in the code development for major electronic structure code is desirable.

Special Requirements :

Please submit three letters of reference when applying to this position. You can upload these directly to your application or have them sent to postdocrecruitment++ornl.

gov with the position title and number referenced in the subject line. Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment.

The appointment length will be for up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and the availability of funding.

Benefits at ORNL : ORNL offers competitive pay and benefits programs to attract and retain talented people. The laboratory offers many employee benefits, including medical and retirement plans and flexible work hours, to help you and your family live happy and healthy.

Employee amenities such as on-site fitness, banking, and cafeteria facilities are also provided for convenience.

If you have difficulty using the online application system or need an accommodation to apply due to a disability, please email : ORNLRecruiting++ornl.gov

This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and / or hired.

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.

Apply at : https : / / jobs.ornl.gov / job-invite / 13631 /

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