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UID:submissions.supercomputing.org_SC23_sess503_job200@linklings.com
SUMMARY:Postdoctoral Research Associate - Theoretical Chemistry
DESCRIPTION:Overview:  \n\nAs a U.S. Department of Energy (DOE) Office of 
 Science national laboratory, ORNL has an extraordinary 80-year history of 
 solving the nation’s biggest problems. We have a dedicated and creative st
 aff of over 6,000 people! Our vision for diversity, equity, inclusion, and
  accessibility (DEIA) is to cultivate an environment and practices that fo
 ster 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 ORNL’s broader mission to accel
 erate scientific discoveries and their translation into energy, environmen
 t, and security solutions for the nation.\n\n \n\nWe are seeking a Postdoc
 toral Research Associate in Theoretical Chemistry who will join a highly d
 ynamic and collaborative multidisciplinary research team. This position is
  in support of various exciting research endeavors, with a primary focus o
 n heavy element chemistry, including data-driven design of new ligands and
  nanomaterials for targeted alpha therapy/cancer treatment, separation che
 mistry, and exploring the fundamentals of chemical bonding and spectroscop
 y. In this role, the new postdoctoral research associate will perform comp
 utational research in close collaboration with experimentalists to provide
  new insights into thermodynamic and spectroscopic data (including X-ray/n
 eutron scattering and X-ray absorption spectroscopy) and incorporate data 
 analytics and machine learning. We have a particular interest in the follo
 wing domains: exploration of coordination chemistry, dynamics, and kinetic
 s in liquid-phase and interfacial environments; application of machine lea
 rning techniques to enhance our understanding of reaction networks and opt
 imize experimental design; investigation of chemical bonding, reactivity, 
 and the spectroscopic characteristics of organoactinide systems using elec
 tronic structure methods, including both Density Functional Theory (DFT) a
 nd wave-function-based methods. The ideal candidate should possess experti
 se across multiple domains, and project assignments can be customized to i
 ntegrate various aspects based on the applicant's strengths and interests.
  This position resides in the Nanomaterials Chemistry Group in the Separat
 ions and Polymer Chemistry Section, Chemical Sciences Division, Physical S
 ciences Directorate, at Oak Ridge National Laboratory (ORNL).  \n\n \n\nMa
 jor Duties/Responsibilities: \n\nDevelop and apply computational approache
 s to provide new insights into research and development of molecular chela
 tors and nanomaterials.\nComputational methods will primarily involve dens
 ity functional theory calculations for molecular and periodic systems and 
 molecular dynamics simulations using classical, ab initio, and machine-lea
 rning potentials.\nIndependently plan and conduct simulations and work wit
 h experimentalists to help interpret thermodynamic/spectroscopic results.\
 nParticipate in project planning and execution.\nPresent and report resear
 ch results and publish scientific results in peer-reviewed journals in a t
 imely manner.\nDeliver ORNL’s mission by aligning behaviors, priorities, a
 nd interactions with our core values of Impact, Integrity, Teamwork, Safet
 y, and Service. Promote diversity, equity, inclusion, and accessibility by
  fostering a respectful workplace – in how we treat one another, work toge
 ther, and measure success.\n \n\nBasic Qualifications:\n\nA Ph. D. in theo
 retical or computational chemistry or closely related field in physical ch
 emistry or chemical physics completed within the last five years.\nSolid u
 nderstanding of relevant computational methodologies and fundamental chemi
 stry, such as quantum mechanics, statistical mechanics, rate theories.\nEx
 tensive experience with major quantum chemistry and/or condensed phase ele
 ctronic structure computational packages.\nDemonstrated ability to communi
 cate both technically and interpersonally both orally and in writing.\n \n
 \nPreferred Qualifications:\n\nExperience in developing new simulation met
 hodologies, especially that address challenges relevant to long-time simul
 ations.\nExperience with developing and applying machine learning approach
 es for chemical problems.\nExperience in using large-scale high performanc
 e computing resources.\nExcellent written and oral communication skills.\n
 Motivated self-starter with the ability to work independently and to parti
 cipate creatively in collaborative teams across the laboratory.\nAbility t
 o function well in a fast-paced research environment, set priorities to ac
 complish multiple tasks within deadlines, and adapt to ever changing needs
 .\n \n\nApplicants cannot have received their Ph.D. more than five years p
 rior to the date of application and must complete all degree requirements 
 before starting their appointment. The appointment length will be for up t
 o 24 months with the potential for extension. Initial appointments and ext
 ensions are subject to performance and the availability of funding.\n\n \n
 \nPlease submit three letters of reference when applying to this position.
  You can upload these directly to your application or have them sent to po
 stdocrecruitment@ornl.gov with the position title and number referenced in
  the subject line.\n\n \n\nInstructions to upload documents to your candid
 ate profile:\n\nLogin to your account via jobs.ornl.gov\nView Profile\nUnd
 er the My Documents section, select Add a Document\n \n\nBenefits at ORNL:
   \n\nORNL offers competitive pay and benefits programs to attract and ret
 ain talented people. The laboratory offers many employee benefits, includi
 ng medical and retirement plans and flexible work hours, to help you and y
 our family live happy and healthy. Employee amenities such as on-site fitn
 ess, banking, and cafeteria facilities are also provided for convenience.\
 n\nOther benefits include: Prescription Drug Plan, Dental Plan, Vision Pla
 n, 401(k) Retirement Plan, Life Insurance, Pet Insurance, Generous Vacatio
 n and Holidays, Parental Leave, Legal Insurance with Identity Theft Protec
 tion, Employee Assistance Plan, Flexible Spending Accounts, Health Savings
  Accounts, Wellness Programs, Educational Assistance, Relocation Assistanc
 e, and Employee Discounts.\n\n
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