First-principles modeling of materials

Due: May 1, 2025

$99,200

Description

We aim to understand Navy-relevant materials and nano-systems at a molecular level through first-principles-based simulations. Methods used for these studies include density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Current areas of interest include (1) electronic structure of novel battery materials, (2) surface chemistry of 2D materials, and (3) oxidative reaction pathways in hydrocarbons. These efforts involve close collaboration with experimental research teams.

Award Ceiling$99,200

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- Theoretical Chemistry- Materials Science- Quantum Chemistry- Molecular Modeling

Grantor Contact InformationAdviser: Gloria Bazargan, Phone: 202 404 2640Grantor Emailgloria.bazargan.civ@us.navy.milOther Grantor InformationThe 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: Naval Research Laboratory, DC, Chemistry 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=64&ROPCD=641515&RONum=C0996

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Computational materials design and engineering

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