Requisition Id 13631 

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. They will 
collaborate with leading computer and computational scientists at ORNL 
and external collaborators in the development and application of new 
computational techniques specifically targeted at the key DOE Office 
of Science missions. 

 

As a U.S. Department of Energy (DOE) Office of Science national laboratory,
ORNL has an extraordinary 80-year history of solving the nations biggest 
problems. We have a dedicated and creative staff of over 6,000 people! 
Our vision for diversity, equity, inclusion, and accessibility (DEIA) is 
to cultivate an environment and practices that foster diversity in ideas 
and in the people across the organization, as well as to ensure ORNL is 
recognized as a workplace of choice. These elements are critical for 
enabling the execution of ORNLs broader mission to accelerate scientific 
discoveries and their translation into energy, environment, and security 
solutions for the nation.

 

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.

- Developing and applying advanced, compute-intensive computational 
  chemistry methodologies to study the fundamental properties 
  of molecules.

- Deliver ORNLs 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.

 

Instructions to upload documents to your candidate profile:

Login to your account via jobs.ornl.gov
View Profile
Under the My Documents section, select Add a Document
 

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.

 

Other benefits include Prescription Drug Plan, Dental Plan, Vision Plan, 
401(k) Retirement Plan, Life Insurance, Pet Insurance, Generous Vacation 
and Holidays, Parental Leave, Legal Insurance with Identity Theft 
Protection, Employee Assistance Plan, Flexible Spending Accounts, Health 
Savings Accounts, Wellness Programs, Educational Assistance, Relocation 
Assistance, and Employee Discounts.

 

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.

We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format 
(.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party 
vendors will not be accepted; these resumes will be deleted and 
the candidates submitted will not be considered for employment.


If you have trouble applying for a position, please email 
ORNLRecruiting++ornl.gov.


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

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