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Postdoc position at ORNL: Theory and Modeling of ... (1 reply)

6 months ago
Jacek 6 months ago

Dear Colleagues:

We would like to bring to your attention the following postdoctoral opportunity  at the Oak Ridge National Laboratory, USA:

Postdoctoral Research Associate –Theory and Modeling of Beam (Electron, Ion)-Matter Interactions / NB50648197


We are looking for a Postdoctoral Research Associate to work on developing an understanding of energy transfer at a quantum mechanical level, from focused electron and ion beams to matter at the nanoscale (solid, liquid, gas). In this role you will closely collaborate with a diverse group of experimentalists, theorists, and data scientists as part of the Center for Nanophase Materials Science (CNMS) in-house science as well as work with staff and capabilities in high performance computing. This is a joint position between the Nanomaterials Theory Institute and Scanning Probe Microscopy Group within the CNMS of the Physical Sciences Directorate (PSD) at the Oak Ridge National Laboratory (ORNL).

The mechanisms that govern how energy is imparted from a highly focused beam of energetic electrons or ions to materials are not always well understood or captured by existing theory, models, or simulations. This is especially true in cases when the system in question is highly confined, such as a single molecule on a surface or a defect or interface within a material, which are conditions of particular interest to our work at the CNMS that is focused on Directed Nanoscale Transformations.

As a postdoc, your research will focus on developing the underlying theoretical descriptions, accurate models and simulations approaches necessary to understand and predict nanoscale transformations caused from beam (electrons, ions) matter (solid, liquid, gas) interactions such as energy transfer processes and cascading reactions. In particular, understanding the effects of confinement on locally driven chemical reactions, and conversely, how reaction processes and pathways affect the selection and confinement of reaction products. The research will be directly integrated with ongoing experimental work with the overall goal of directing matter with atomic precision to create 3D nanoscale structures that have desired form and function. 

Major Duties/Responsibilities

• Work as part of a dynamic team conducting CNMS in-house research that advances our understanding of nanomaterials while also leading to the development of capabilities that will eventually become available to the CNMS user community
• Develop & apply computational, first principles models of interaction of ions/electrons/external field with
materials based on density functional theory (DFT)/approximate DFT and time-dependent quantum mechanics
• Perform data analysis and interpretation
• Present research and publish scientific results in peer-reviewed journals in a timely fashion
• Work with others to maintain a high level of scientific productivity
• Ensure compliance with environment, safety, health, and quality program requirements

  • Maintain strong dedication to the implementation and perpetuation of values and ethics 


Jacek Jakowski

ORCID: 0000-0003-4906-3574

Center for Nanophase Materials Sciences

Oak Ridge National Laboratory/SNS site

U.S. DOE c/o  UT Battelle, LLC

Building: 8610 Room: P-287 MS: 6494

9500 Spallation Drive

Oak Ridge, TN 37830

phone:  865-574-6174

Email: [email protected]


6 months ago
Jacek 6 months ago

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Ab initio (from electronic structure) calculation of complex processes in materials