Distinguished Postdoctoral Research Associate - Science Engagement

We need to produce HTML fragment with sections: About the role, Responsibilities, Requirements, Qualifications, Skills, Benefits, Pay, Schedule. Only include sections that have real specific content. Must not repeat job title. Must not include Job ID etc. Must preserve all substantive info, no invention. Remove boilerplate, navigation, legal, EEO, etc. Also remove duplicated lines, application instructions. Must not include sections with placeholder like "commensurate with experience". Pay and Schedule only if posting actually states them. The posting does not mention pay or schedule specifics. So we should not include Pay or Schedule sections. Benefits: posting mentions ORNL offers competitive pay and benefits programs, lists many benefits. So we can include Benefits section with list of benefits. About the role: there is overview paragraph about ORNL and role. Responsibilities: Major Duties/Responsibilities list. Basic Qualifications and Preferred Qualifications: could be under Requirements or Qualifications. The instruction says use headings like About the role, Responsibilities, Requirements, Qualifications, Skills, Benefits, Pay, Schedule. We need to map content accordingly. Could combine Basic and Preferred Qualifications into Requirements and Qualifications? Might be overlapping. Perhaps Requirements = Basic Qualifications, Qualifications = Preferred Qualifications. Skills could be extracted from preferred qualifications (programming languages, parallel programming etc). But we must not invent. We can put skills under Skills heading: list of specific skills mentioned: FORTRAN, C, C++, Python, MPI, OpenACC, OpenMP, heterogeneous programming, developing/debugging/profiling massively parallel codes, ab initio simulation codes VASP or CP2K, statistical mechanical theory, parallel application development techniques. However some of those are also in qualifications. Might be okay to put them under Skills. Ensure we don't duplicate content? The instruction: Preserve ALL substantive information; do NOT invent or summarize away detail. So we need to keep all info, but we can reorganize under headings. Duplication is okay if it's same info appears in multiple places? Might be considered duplication but we can keep it once. Better to allocate each piece to appropriate section without losing info. Let's extract sections: About the role: overview paragraph about ORNL and role description: "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 Science Engagement Section 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 materials research and development. The scientific focus of this role is the study of the chemical and physical properties of molten salt liquids relevant to fission and fusion reactors. The production and recovery of tritium fuel are major challenges for successfully generating fusion energy. This research will focus on the chemical speciation and transport of tritium in the molten salt blankets using ab initio quantum simulations, machine learning potentials, and statistical mechanical theory. Collaborations with internal and external fusion efforts will be strongly encouraged. 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." That's about the role. Responsibilities: Major Duties/Responsibilities bullet list: - Work closely with ORNL researchers in using the resources of the OLCF effectively and efficiently - Develop and port scalable materials science applications and algorithms for OLCF supercomputers - Develop and apply advanced, compute-intensive materials simulation methodologies to study the fundamental properties of molten salt materials to meet scientific objectives - Debug and profile applications for high performance - Conduct research and report results in journal publications, conference papers and technical manuals Requirements: Basic Qualifications: - A PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field completed within the last 5 years - Experience in theoretical and computational quantum simulations of materials or chemical physics methods, in particular ab initio and AI-driven simulation methods - Experience in statistical mechanical theory to analyze the simulation results - Basic understanding of parallel application development techniques (parallel programming models, algorithms, and software) Qualifications: Preferred Qualifications: - Experience in implementing ab initio simulation codes such as VASP or CP2K on massively parallel architectures. - Solid skills in common scientific programming languages, in particular languages such as FORTRAN, C, C++, and Python - Experience in parallel programming with one or more common parallel programming models, in particular MPI, OpenACC, and OpenMP - Experience in heterogeneous programming - Experience in developing, debugging and profiling massively parallel codes - Excellent written and oral communication skills - Ability to work independently and to participate creatively in collaborative teams - Ability to function in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs Special Requirements: includes PhD time limit, appointment length up to 24 months, letters of reference, ID requirements, PIV, background check, foreign national residency, etc. Some of this is not exactly qualifications but could be considered Requirements. However the instruction says include sections only when posting has real specific content. Special Requirements is specific content. Could be placed under Requirements or maybe a separate section like Requirements (includes special). But we have only allowed headings list; we could put special requirements under Requirements as well. However we must not invent headings. We can include a Requirements section that includes both basic qualifications and special requirements (like appointment length, letters of reference, ID, PIV, background check). That would preserve all info. Skills: Could extract from preferred qualifications: programming languages, parallel programming models, heterogeneous programming, debugging/profiling, communication skills, teamwork, fast-paced environment. But those are already in Qualifications. Might be redundant. Perhaps better to not have Skills section if it would duplicate Qualifications. The instruction: Prefer a few substantive sections over many thin ones. So we could combine Qualifications and Skills into one Qualifications section. But we have both headings allowed; we could omit Skills if no distinct content beyond Qualifications. However the preferred qualifications already list skills; we could treat them as Qualifications. So we can omit Skills section. Benefits: The posting lists benefits: "ORNL offers competitive pay and benefits programs to attract and retain individuals who demonstrate exceptional work behaviors. The laboratory provides a range of employee benefits, including medical and retirement plans and flexible work hours, to support the well-being of you and your family. Employee amenities such as on-site fitness, banking, and cafeteria facilities are also available for added convenience. Other benefits include the following: Prescription Drug Plan, Dental Plan, Vision Plan, 401(k) Retirement Plan, Contributory Pension Plan, Life Insurance, Disability Benefits, 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." We should include Benefits section with list. Pay and Schedule: Not specified, so omit. Now we need to output HTML fragment with

headings and

• for lists,

  for prose. We must not include any markdown fences. We need to ensure we preserve all substantive info. Let's check if any info missed: The overview includes ORNL description, role focus, tritium, etc. We captured that in About the role. Responsibilities captured. Requirements: we need to include basic qualifications and special requirements (PhD time limit, appointment length, letters of reference, ID, PIV, background check, foreign national residency). Also maybe mention "Initial appointments and extensions are subject to performance and availability of funding." That's part of special requirements. Also mention "Letters of Reference: Please submit three letters of reference when applying to this position. You may upload these directly to your application or have them sent to ORNLRecruiting@ornl.gov (For postdocs, use Postdocrecruitment@ornl.gov) with the position title and number referenced in the subject line." That's application instruction; we must remove application instructions per instruction: "Remove cookie/navigation/legal/EEO/equal-opportunity/scam-warning boilerplate, duplicated lines, and application instructions." So we should remove the letters of reference instruction? It's application instruction. So we should drop that. Also "Instructions to upload documents to your candidate profile: ..." is application instruction; drop. Also "For employment at Oak Ridge National Laboratory (ORNL), a Real ID compliant form of identification will be required." That's a requirement (special requirement) not application instruction; keep. Also "Additionally, ORNL is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as mandated by Homeland Security Presidential Directive 12 (HSPD-12) and Department of Energy (DOE) Order 473.1A, which requires a favorable post-employment background investigation. To obtain this credential, new employees must successfully complete and pass a Federal Tier 1 background check investigation. This investigation includes a declaration of illegal drug activities, including use, supply, possession, or manufacture within the last year. This includes marijuana and cannabis derivatives, which are still considered illegal under federal law, regardless of state laws." Keep as special requirement. "For Foreign National Candidates If you have not resided in the U.S. for three consecutive years, you are not eligible for the PIV credential and instead will need to obtain a favorable Local Site Specific Only (LSSO) risk determination to maintain employment. Once you meet the three-year residency requirement, you will be required to obtain a PIV credential to maintain employment." Keep. "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." That's posting duration; maybe considered metadata but not application instruction; could be kept under Requirements? It's not a qualification but could be considered special requirement. However it's about posting timeline; maybe we can drop as it's not substantive about job. The instruction says preserve ALL substantive information; this is substantive about posting. Could keep under Requirements? Might be okay. But we could also drop as it's not about role. However it's still info. I'd keep it under Requirements as a note. "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." That's application instruction; drop. "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." That's EEO boilerplate; remove. Now we need to ensure we didn't miss any substantive info: The overview also mentions "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." Already in About the role. Now produce HTML. Structure:

  About the role

  ... paragraphs ...

  Responsibilities

  • ...
  ...

  Requirements

  • PhD in Computational Chemistry, Physics, Chemical Engineering, Materials Science and Engineering, or a related field completed within the last 5 years
  • Experience in theoretical and computational quantum simulations of materials or chemical physics methods, in particular ab initio and AI-driven simulation methods
  • Experience in statistical mechanical theory to analyze the simulation results
  • Basic understanding of parallel application development techniques (parallel