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Date: Thu Nov 16 12:14:28 2017
Subject: 17.11.16 Computational, Modeling of Catalysis, Postdoctoral, Researcher, Postdoc, PhD, USA, Colorado, NREL
The National Renewable Energy Laboratory (NREL), located in beautiful Golden, Colorado, is a leader in the U.S. Department of Energys effort to secure an energy future
for the nation that is environmentally and economically sustainable.  

Postdoctoral Researcher  Computational Modeling of Catalysis
Job Req # R2474

Job Summary
Applicants are invited to apply for a postdoctoral position in the Biosciences Center to develop predictive computational models using machine learning approaches. 
These models will focus on understanding catalyst performance (activity, selectivity, lifetime) and providing guidance for experimental catalyst development as they 
pertain to the thermochemical conversion of biomass.

Incorporate machine learning methodologies toward the development of quantitative structure-activity relationship (QSAR) models for rapid prediction and screening.
Understanding of chemical reaction mechanisms based on a understanding of organic reactions and homogenous and/or heterogeneous catalysis will be preferred.
Collaborate with modeling and experimental collaborators at NREL and other institutions to 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 and analysis of modeling results to guide experiments, operations, and engineering designs.
Disseminate knowledge through publications in technical journals and presentations at conferences, symposia, and review meetings. Provide reports on technical work 
and input to technical publications and presentations.
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.

The successful candidate will have the following skills and experience:
Fluency in at least one scientific programming stack (Python/R/MATLAB), including techniques for data manipulation and machine learning.
Comfortable with UNIX and HPC environments; experience with git workflows preferred.
Experience with common cheminformatics libraries and data formats, i.e., RDKit, OpenBabel, SMILES, InChi, etc.
Well-versed in quantum chemistry and related softwares, e.g. Gaussian will be preferred.
Demonstrated experience in performing simulations studies that inform and collaborate with experimental projects.
Ability to work independently and in teams to deliver high-quality results within aggressive timelines.
Strong background in combustion chemistry and physics, modeling and kinetics preferably with an emphasis on bio-fuels applications will be preferred.
Excellent technical writing, interpersonal, and communication skills.
Troubleshooting and problem-solving skills.
Recent (within past three years) PhD in Chemistry, Chemical Engineering, Mechanical Engineering, Computer Science or related field with a focus on computational modeling.
Dedication to a safe and clean work environment.

Required Education, Experience, and Skills
Must be a recent PhD graduate within the last three years.

Preferred Qualifications
Perform ab initio calculations on catalytic systems using standard software packages (e.g. Gaussian and/or VASP) will be preferred but not strongly required. Strong publication record. 
Applicants should be fluent in at least one scientific programming environment (Python, R, Matlab; Python preferred). A strong background in DFT calculations, organic reactions, 
homogenous and heterogeneous catalysis and chemical kinetics are essential. Experience with machine learning training/validation/testing paradigm is highly preferred.

EEO Policy / E-Verify	
NREL's policy is to provide equal employment opportunities to all qualified persons without regard to race, age, color, sex, religion, national origin, marital or veteran status, 
or any other legally protected status.

NREL validates right to work using E-Verify. NREL will provide the Social Security Administration (SSA) and, if necessary, the Department of Homeland Security (DHS), with information 
from each new employees Form I-9 to confirm work authorization. For additional information, please click here

Pre-employment drug testing required.

Submit Your Resume
Please apply online at: and search by R2474.

Please note that in order to be considered an applicant for any position at NREL you must submit an application form for each position for which you believe you are qualified. 
Applications are not kept on file for future positions. Please include a cover letter and resume with each position application.
Submit Your Resume
Please apply online at: and search by Req R2474.
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