Postdoctoral Appointee - Molecular Dynamics Theory, Onsite

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://(Use the "Apply for this Job" box below)..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…