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RAP opportunity at Naval Research Laboratory     NRL

Multiscale Simulations of Mechanical, Structural, and Energetic Properties


Naval Research Laboratory, DC, Materials Science & Technology

opportunity location
64.15.85.B6293 Washington, DC 203755321


name email phone
Noam Bernstein 202.404.8628


We are using a combination of atomistic simulation techniques to study mechanical, structural, and energetic properties of materials. We use first principles and interatomic potentials methods, both singly and in a dynamically coupled simulations, to study properties such as fracture and friction, defect diffusion, and reactions in a solvent. We also develop and apply free energy calculation methods to molecular systems and solid-state structural transformations. Finally, we are working on developing and applying advanced machine-learning based interatomic potentials to computational materials science problems. The methods are implemented on massively parallel computers including in-house clusters and off-site dedicated parallel machines.


key words
Atomistic simulations; Computer simulations; Electronic structure; Empirical potentials; Mechanical properties; Free Energy; Parallel computing; Tight binding; First Principles; Density functional theory;


Citizenship:  Open to U.S. citizens and permanent residents
Level:  Open to Postdoctoral applicants


Base Stipend Travel Allotment Supplementation
$94,199.00 $3,000.00
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