Postdoctoral Appointee- Theoretical Heterogeneous Catalysis

Company: University of Texas at El Paso
Location: Livermore
Posted on: April 1, 2021

Job Description:

Postdoctoral Appointee- Theoretical Heterogeneous Catalysis Job posting number: #7075797 (Ref:675471) Posted: March 6, 2021 Job Description This posting will be open for application submissions for a minimum of seven (7) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time. : We are seeking a Postdoctoral Appointee to join our department!. The postdoctoral associate will work under the supervision of Dr. Judit Z--dor and primarily be responsible for the development of our code "pynta" (https://github.com/zadorlab/pynta), which enables large-scale kinetics calculations for heterogeneous catalytic systems using high performance computing. The work includes coding mostly in Python, hands-on experience with current peta- and upcoming exascale machines, and exploration of the mechanistic details of catalytic processes on surfaces. It also requires creativity, possibly combined with machine learning approaches, to come up with efficient and scalable algorithms for the exploration of potential energy surfaces in this domain. The work is in the framework of the Exascale Catalytic Chemistry (ECC) project (https://ecc-project.sandia.gov/), funded by the Department of Energy, and includes a collaboration with the members of our interdisciplinary and multi-institutional team, with the possibility of contributing to other aspects of the project as well.

Required:
+ A PhD in Chemistry, Chemical Engineering, Physics, Material Science, or related field. + Substantial expertise in an area of heterogeneous catalysis, computational chemistry and in scientific programming. + Strong publication record + Solid knowledge of Python

Desired:
+ Good presentation, writing, and communication skills. + Knowledge of the theoretical and modeling aspects of heterogeneous catalysis. + Experience with atom-centered and plane wave quantum chemistry codes. + Experience with high-performance computing. + Familiarity with machine learning techniques.

Department Description:

The Gas Phase Chemical Physics Department is part of Sandia's Combustion Research Facility (CRF) in Livermore, California, where over 100 scientists, engineers, and technologists conduct basic and applied research to improve our nation's ability to use and control combustion processes efficiently and cleanly. Under the principal sponsorship of the Department of Energy's Office of Basic Energy Sciences, the Combustion Chemistry and Diagnostics Department conducts fundamental experimental, theoretical, and modeling research to develop a foundational understanding of the key chemical processes that underlie the complex mechanisms of combustion. Additional programs investigate the effects of combustion emissions on atmospheric composition and climate. Research areas include chemical dynamics and spectroscopy, theoretical and experimental chemical kinetics, flame chemistry and modeling, and gas-phase and particulate diagnostics development and deployment.

About Sandia:

Sandia National Laboratories is the nation's premier science and engineering lab for national security and technology innovation, with teams of specialists focused on cutting-edge work in a broad array of areas. Some of the main reasons we love our jobs: --- Challenging work with amazing impact that contributes to security, peace, and freedom worldwide --- Extraordinary co-workers --- Some of the best tools, equipment, and research facilities in the world --- Career advancement and enrichment opportunities --- Flexible work arrangements for many positions include 9/80 (work 80 hours every two weeks, with every other Friday off) and 4/10 (work 4 ten-hour days each week) compressed workweeks, part-time work, and telecommuting (a mix of onsite work and working from home) --- Generous vacations, strong medical and other benefits, competitive 401k, learning opportunities, relocation assistance and amenities aimed at creating a solid work/life balance* World-changing technologies. Life-changing careers. Learn more about Sandia at: http://www.sandia.gov *These benefits vary by job classification.

Security Clearance:

This position does not currently require a Department of Energy (DOE) security clearance. Sandia will conduct a pre-employment drug test and background review that includes checks of personal references, credit, law enforcement records, and employment/education verifications. Furthermore, employees in New Mexico need to pass a U.S. Air Force background screen for access to Kirtland Air Force Base. Substance abuse or illegal drug use, falsification of information, criminal activity, serious misconduct or other indicators of untrustworthiness can cause access to be denied or terminated, resulting in the inability to perform the duties assigned and subsequent termination of employment. If hired without a clearance and it subsequently becomes necessary to obtain and maintain one for the position, or you bid on positions that require a clearance, a pre-processing background review may be conducted prior to a required federal background investigation. Applicants for a DOE security clearance need to be U.S. citizens. If you hold more than one citizenship (i.e., of the U.S. and another country), your ability to obtain a security clearance may be impacted. Members of the workforce (MOWs) hired at Sandia who require uncleared access for greater than 179 days during their employment, are required to go through the Uncleared Personal Identity Verification (UPIV) process. Access includes physical and/or cyber (logical) access, as well as remote access to any NNSA information technology (IT) systems. UPIV requirements are not applicable to individuals who require a DOE personnel security clearance for the performance of their SNL employment or to foreign nationals. The UPIV process will include the completion of a USAccess Enrollment, SF-85 (Questionnaire for Non-Sensitive Positions) and OF-306 (Declaration of for Federal Employment). An unfavorable UPIV determination will result in immediate retrieval of the SNL issued badge, removal of cyber (logical) access and/or removal from SNL subcontract. All MOWs may appeal the unfavorable UPIV determination to DOE/NNSA immediately. If the appeal is unsuccessful, the MOW may try to go through the UPIV process one year after the decision date.

EEO Statement:

All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, or veteran status and any other protected class under state or federal law. : This postdoctoral position is a temporary position for up to one year, which may be renewed at Sandia's discretion up to five additional years. The PhD must have been conferred within five years prior to employment. Individuals in postdoctoral positions may bid on regular Sandia positions as internal candidates, and in some cases may be converted to regular career positions during their term if warranted by ongoing operational needs, continuing availability of funds, and satisfactory job performance.

All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability, or veteran status.

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Keywords: University of Texas at El Paso, Livermore , Postdoctoral Appointee- Theoretical Heterogeneous Catalysis, Other , Livermore, California