Molecular Dynamics Jobs (NOW HIRING)

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 vacation, 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.
What Your Job Will Be Like
We seek a motivated postdoctoral researcher with interest in the interface between machine learning, development of molecular dynamics theory, and applications to chemical problems. The successful candidate will develop and apply advanced quantum and classical molecular dynamics methods to investigate chemically relevant systems and predict experimentally observable phenomena. This position involves integrating modern data-driven and machine learning approaches with electronic structure theory, spectroscopy, and molecular simulation workflows to address challenging problems in chemical physics and materials science. The candidate will work within a collaborative multi-investigator research environment while contributing to method development, high-performance scientific computing, and dissemination of results through publications and scientific presentations.
On any given day, you will:

• Utilize both external and internal software packages to compute molecular dynamics trajectories.
• Develop new theoretical methods in quantum and classical molecular dynamics.
• Integrate modern machine learning methodologies with computational and experimental analysis methods.
• Predict observables computationally and compare with experimental data.
• Grasp the larger goals of each project, proposing innovative solutions and new directions.

You will be expected to partner with a multi-investigator team, present results at national/international meetings, and publish research in high profile peer-reviewed journals.
Due to the nature of the work, the selected applicant must be able to work onsite.
Qualifications We Require

• PhD degree in chemistry, physics, or a closely related field
• Significant experience with theoretical methods development in electronic structure or molecular dynamics
• Significant experience with applications of electronic structure and molecular dynamics methods to chemical problems

Qualifications We Desire

• Demonstrated expertise in algorithm development and computer programming
• Experience with modern machine learning tools for chemical systems
• Ability to address complex problems creatively, and to work effectively both independently and in collaboration with other researchers.
• Strong record of publications in peer-reviewed journals and presentations at scientific conferences
• Experience with Q-Chem, MOLPRO, CFOUR, Psi4, or similar software packages.

About Our Team
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 chemical processes efficiently and cleanly. Under the principal sponsorship of the Department of Energy's Office of Basic Energy Sciences, the Gas-Phase Chemical Physics Department conducts fundamental experimental, theoretical, and modeling research to develop a foundational understanding of the key chemical processes that underlie the complex mechanisms of chemical transformations. Research areas include chemical dynamics, ultrafast chemical physics, theoretical and experimental chemical kinetics, and gas-phase and particulate diagnostics development and deployment.
Posting Duration
This posting will be open for application submissions for a minimum of three (3) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time.
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. Under federal law, citizens and agents of the People's Republic of China, the Islamic Republic of Iran, the Democratic People's Republic of North Korea, and the Russian Federation are generally prohibited from accessing Sandia National Laboratories. Accordingly, such individuals will not be considered for employment unless they are also a citizen of the United States.
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.
NNSA Requirements for MedPEDs
If you have a Medical Portable Electronic Device (MedPED), such as a pacemaker, defibrillator, drug-releasing pump, hearing aids, or diagnostic equipment and other equipment for measuring, monitoring, and recording body functions such as heartbeat and brain waves, if employed by Sandia National Laboratories you may be required to comply with NNSA security requirements for MedPEDs.
If you have a MedPED and you are selected for an on-site interview at Sandia National Laboratories, there may be additional steps necessary to ensure compliance with NNSA security requirements prior to the interview date.
Position Information
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.