The Theory and Computation Group at the Center for Functional Nanomaterials (CFN) has a full time Postdoctoral Research Associate position available that is matrixed with the Computational Science Initialtive (CSI)’s Center for Data-Driven Discovery (C3D) at Brookhaven National Laboratory (BNL).

The proposed research will focus on the computational modeling of nanocatalysts to gain mechanistic understanding in heterogeneous catalysis, complementing the in situ and operando experimental studies at BNL. The research topic is highly interdisciplinary, involving both first principles simulations and data-centric research. In particular, first principles simulations of core-level X-ray adsorption spectra and electron energy loss spectra will be routinely used to contrast and correlate the simulated spectra with experimental ones measured at CFN and NSLS-II to probe structural and chemical information. The successful candidate will be under the supervision of Dr. Deyu Lu at CFN and Dr. Shinjae Yoo at C3D, and collaborate with experimental groups at CFN, Chemistry, and NSLS-II at BNL. Position can start as early as April, 2016.

Qualifications of successful candidates include a Ph.D. in physics, chemistry, materials science or a related field, and a strong background in first-principles electronic structure theory. Preferred skills include:

• Expertise in solving phenomenological problems related to interface, surface or catalysis.
• Hands-on experience on core-level spectroscopy tools, such as FEFF and XSpectra.
• Experience on developing structural database for high throughput studies.

BNL policy states that Research Associate appointments may be made to those who have received their doctoral degrees within the past five years.

To be considered for this position, please apply online at Post Doctoral Positions (http://www.bnl.gov/hr/careers/jobs/index.php?q=1) and enter the Job ID number 563 into the Search by Job ID field.

Organization Overview:

CFN is a DOE-funded user-oriented research center whose mission is to be an open facility for the nanoscience research community and advance the science of nanomaterials that address the nation's energy challenges. Currently, a diverse array of characterization techniques is under active development at both CFN and the National Synchrotron Light Source II (NSLS-II) using in situ and operando approaches to rationally design functional materials for energy applications. The focus area of this position is nanocatalysts in heterogeneous catalysis.

Building on its capabilities in computational science and data management, CSI was established to leverage computational science expertise and investments across multiple programs at BNL—including the flagship facilities that attract thousands of scientific users each year—further establishing BNL as a leader in tackling the "big data" challenges at the frontiers of scientific discovery. A centerpiece of the initiative is C3D that serves as a focal point for this activity. C3D drives the integration of intellectual, programmatic, and data/computational infrastructure with the goals of accelerating and expanding discovery by developing critical mass in key disciplines, enabling nimble response to new opportunities for discovery or collaboration, and ultimately integrating the tools and capabilities across the entire Laboratory into a single scientific resource.