National Renewable Energy Laboratory Postdoctoral Researcher - Computational Catalysis in Golden, Colorado
Postdoctoral Researcher - Computational Catalysis
CO - Golden
Postdoc (Fixed Term)
Hours Per Week
The Catalytic Carbon Transformation and Scale-Up (CCTS) Center at the National Renewable Energy Laboratory (NREL) in Golden, CO has an opening for a full time Postdoctoral Researcher in the area of computational catalyst science. The researcher will apply state-of-the-art computational and experimental tools in support of several multi-investigator, interdisciplinary projects focused on the development of heterogeneous catalysts for the production of fuels and chemicals from biomass and waste resources through thermochemical and electrochemical pathways. The initial appointment is for one year, with possible renewal up to three years.
Primary responsibilities include:
Define and perform ab intio simulations with minimal oversight using common software packages (e.g., VASP, Gaussian) to elucidate surface-catalyzed reaction mechanisms and understand the structure and function of multi-component catalyst materials
Effectively communicate and collaborate with researchers and engineers operating experimental systems to design complementary experiments and develop physically realistic simulations, analyze data, and interpret results
Frequently review relevant scientific literature to inform research efforts and share knowledge with team
Work with management and senior staff to plan and design projects, determine technical objectives, and interact with and provide regular project reports to government and/or industrial clients
Disseminate knowledge through publications in high-impact journals and presentations at conferences, symposia, and review meetings
Required Education and Experience:
Doctoral degree in Chemistry, Chemical Engineering, or Materials Science granted within the last three years
A strong record of peer-reviewed publications in the scientific literature
Experience in and knowledge of ab initio surface science simulations and catalysis
Comfortable working in UNIX environments
Ability to work independently and in multi-disciplinary teams to deliver high-quality results within aggressive timelines
Excels at problem-solving and attention to detail
Must be a recent PhD graduate within the last three years.
Additional Required Qualifications
Excellent technical writing, interpersonal, and communication skills
Demonstrated expertise in computational chemistry including proficiency in common ab initio codes (e.g., VASP, Gaussian) and HPC environments
Fluency in scripting languages (e.g., python, perl)
Specific experience in any of electrocatalysis, data science, machine-learning, microkinetic and/or kinetic modeling, and/or development and application of automated approaches for high-throughput ab initio studies
Experience collecting and interpreting experimental kinetic and catalyst characterization data for collaborative computational-experimental catalysis studies
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The National Renewable Energy Laboratory (NREL) is a leader in the U.S. Department of Energy’s effort to secure an environmentally and economically sustainable energy future. With locations in Golden and Boulder, Colorado, and a satellite office in Washington, D.C., NREL is the primary laboratory for research, development, and deployment of renewable energy technologies in the United States.
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