Postdoctoral Appointee - DFT and AIMD Calculations

Sandia National Laboratories

Albuquerque, NM

Job posting number: #7108635 (Ref:685091)

Posted: August 12, 2022

Job Description

Posting Duration: 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. COVID-19 Vaccination Mandate: Sandia demonstrates its commitment to public safety in the national interest by requiring that all new hires be fully vaccinated or have an approved medical or religious accommodation before commencing employment. The requirement also applies to those who are telecommuting and working virtually. Any concerns about the ability to meet this requirement should be directed to HR Solutions at (505) 284-4700. What Your Job Will Be Like: We are seeking a hardworking Postdoctoral Appointee to perform density functional theory-based (DFT) calculations and ab initio molecular dynamics (AIMD) simulations. You must thrive in a team-oriented, multidisciplinary research and development (R&D) group and demonstrate initiative in R&D activities useful for your professional development. On any given day, you may be called on to: + Perform ab initio molecular dynamics simulations and/or static DFT calculations + Perform more coarse-grained modeling studies (using force-fields, lattice models) + Perform data analysis + Write scripts for pre- and post-processing of simulation data. + Lead or assist in writing research manuscripts + Conduct work in a multi-disciplinary team environment where members have a range of experimental and/or modeling expertise + Present results at meetings or conferences Qualifications We Require: + PhD in Chemistry, Materials Science, Chemical Engineering, Physics, or related field and a Bachelor's in a science, technology, engineering, or mathematics (STEM) field + Experience with DFT calculations + Working knowledge in Linux environment Qualifications We Desire: + Modeling of material/mineral interfaces, including liquid (e.g., water)
-solid and/or solid-solid + Experience using machine learning algorithms and packages such as scikit-learn, Tensorflow, Keras, PyTorch, etc. (optional) + Excellent people skills with demonstrated ability to perform effectively in a teaming environment + Strong publication record as proven by papers in high impact journals + Effective interpersonal and oral/written communication skills and the flexibility for effective participation in teams + The ability to work independently and self-sufficiently with high reliability and attention to detail as part of a larger team effort + Creative problem solving and effective time management skills + A CV/resume that includes a list of publications and contact information for at least three references and a cover letter (2-page maximum) addressing your qualifications for this position and research interests + Ability to obtain and maintain a DOE L-level security clearance About Our Team: The Geochemistry Department has expertise in three areas: 1) molecular-scale modeling, 2) experimental geochemistry, and 3) applied environmental/chemical engineering. We tackle geosciences- and energy-related problems with applications to carbon sequestration, unconventional oil and gas recovery, nuclear waste management, energy storage, and environmental remediation. In addition, we reach beyond the subsurface environment looking at nuclear weapons applications and air-borne contaminant detection and removal. Program focus is currently on basic science studies of water-mineral interfaces, especially in confined media; options to work on energy-related programs exist. Computing facilities for molecular modeling include a cluster (CPU nodes, GPU nodes) maintained by the Geochemistry Department as well as the Sandia High Performance Computing. In addition, we have 3,000 square feet of laboratory space that includes the following analytical equipment: XRD, FTIR, ICP-MS, ICP-OES, TOF-MS, and SEM

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:*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: 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. Job ID: 685091

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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