Postdoctoral Researcher – Molecular Simulations for Rare Event Processes

National Renewable Energy Laboratory

Mar 27

Applications are closed

Job
Full-time
Entry Level
Research & Development
$71.3K - $117.6K
Golden

Requirements

Must be a recent PhD graduate within the last three years.* Must meet educational requirements prior to employment start date.
Additional Required Qualifications:
Troubleshooting skills, problem-solving skills, and attention to detail
Ability to deliver high-quality results within aggressive timelines
A strong publication history in the peer-reviewed scientific literature
Creativity in working with management, principal investigators, and senior staff to plan, design, and execute projects
Experience communicating research results at national/international conferences
Experience with high performance computing, Linux shells, and (preferred) GPU usage
Preferred Qualifications:
Basic or advanced experience in nucleation theory, especially multicomponent nucleation, including experience with molecular scale transport issues, including diffusion and changing compositions.
Demonstrated experience in Python and/or other relevant programming languages, especially applied to the development of high-throughput computational workflows.
Demonstrated knowledge of molecular dynamics simulations best practices, forcefields, and packages (e.g. Gromacs, NAMD, CHARMM, Amber, etc.).
Experience with git workflows.

Responsibilities

Develop and apply state-of-the-art computational tools to study rare events processes, particularly nucleation from solution
Design and execute atomistic and/or coarse-grained molecular dynamics simulations to compute molecular mechanisms, free energies, transport behavior, and reaction rates in the context of rare event processes. This will include the application of enhanced sampling and importance sampling techniques.
Incorporate molecular simulation data into reduced order models (e.g. CFD models)
Work effectively both independently and in a large, multidisciplinary, multi-institutional team.
Collaborate with modeling and experimental collaborators to plan, execute, discuss, and analyze project results and propose new directions.
Effectively communicate and interact with scientists and engineers to define the requirements of the simulations and models. Obtain necessary input data for simulations and provide meaningful interpretation of modeling results to guide experiments, operations, and engineering designs.
Effectively communicate scientific results with the project team, both in written and oral formats.
Publicly disseminate research findings through publications in technical journals and presentations at conferences, symposia, and review meetings.
Maintain professionalism and an environment of mutual respect in all communication and interactions with fellow staff and collaborators

Application Process

Please DO NOT attach copies of manuscripts, certificates, or presentation slides in your application. Please only include your resume and a cover letter

National Renewable Energy Laboratory

Science & Healthcare

Industry

1001-5000

Employees

1977

Founded Year

Mission & Purpose

The National Renewable Energy Laboratory (NREL), a Department of Energy national lab, is #TransformingEnergy as the nation's primary laboratory for renewable energy and energy efficiency research and development. NREL's Mission: NREL develops renewable energy and energy efficiency technologies and practices, advances related science and engineering, and transfers knowledge and innovations to address the nation's energy and environmental goals. NREL's Strategy: NREL has forged a focused strategic direction to increase its impact on the U.S. Department of Energy's (DOE) and our nation's energy goals by accelerating the research path from scientific innovations to market-viable alternative energy solutions.