Virtual Measurements from Quantum Chemistry

Due: May 1, 2025

Description

The goal of this project is to determine the uncertainties associated with predictions from quantum chemistry calculations. Previous work focused on scaling factors, with associated uncertainties, for vibrational frequencies from ab initio and density-functional calculations.

Eligible Applicants- PostDoc

Additional Eligibility Information

Qualified applicants will receive consideration without regard to race, creed, color, age, gender identity, or national origin. Education and Experience Applicants must have earned a Ph.D., Sc.D., M.D., D.V.M., or academically equivalent research doctorate before beginning tenure. The Fellowships Office makes NRC Research Associateship awards at the postdoctoral and senior researcher levels. Postdoctoral Associateships:Applicants must have held the doctorate for less than five years as of the application deadline. Senior Asso...

Funding TypefellowshipCategories of Funding Activity- Computational chemistry- Computational model- Metrology- Quantum chemistry- Uncertainty

Grantor Contact InformationKarl K. Irikura, Phone: 301.975.2510Grantor Emailkarl.irikura@nist.govOther Grantor InformaitonThe NRC Research Associateship Programs (RAP) are prestigious postdoctoral and senior research awards designed to provide promising scientists and engineers with high-quality research opportunities at federal laboratories and affiliated institutions. Conducted by the National Academies of Sciences, Engineering, and Medicine's Fellowships Office since 1954, these programs offer a comprehensive research experience through a rigorous selection process. The programs aim to: 1) Offer promising postdoctoral and senior scientists/engineers the chance to pursue self-directed research aligned with sponsoring laboratories' goals, 2) Enhance comprehensive research efforts of participating laboratories, 3) Provide recent doctoral graduates a platform for focused research collaboration with permanent laboratory staff, and 4) Foster professional growth by providing opportunities to gain skills, experience, and connections with leading scientists, ultimately enhancing career prospects in academia, industry, or government research roles. The programs provide mentorship, access to state-of-the-art facilities, and opportunities to influence government policy.

Additional informationLocation: Material Measurement Laboratory, Chemical Sciences Division, Gaithersburg, MD. Additional URLs:

https://www.nationalacademies.org/our-work/rap/nrc-research-associateship-programs

https://sites.nationalacademies.org/pga/fellowships/afrl

https://www.nationalacademies.org/documents/embed/link/LF2255DA3DD1C41C0A42D3BEF0989ACAECE3053A6A9B/file/D13308589A09EC935FA87723EB963103495DB429AE7F?noSaveAs=1

https://www.nationalacademies.org/our-work/rap/for-applicants

Supporting Linkhttps://ra.nas.edu/RAPLab10/Opportunity/opportunity.aspx?LabCode=50&ROPCD=506461&RONum=B6751

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