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Postdoc Dft Jobs in Colorado (NOW HIRING)

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Postdoc Dft information

What is a postdoc DFT?

Postdoc DFT positions are postdoctoral research roles focused on Density Functional Theory (DFT), a computational quantum mechanical modeling method used in physics, chemistry, and materials science. These positions typically involve conducting advanced research using DFT to study the electronic structure of atoms, molecules, or solids. Postdocs in this area often work on developing new DFT methods, applying them to novel materials, or interpreting experimental results. The role requires a strong background in computational modeling, quantum mechanics, and often programming skills.

What are the key skills and qualifications needed to thrive as a postdoc in Density Functional Theory (DFT)?

To thrive as a Postdoc specializing in Density Functional Theory (DFT), you need a PhD in physics, chemistry, or materials science with a strong background in quantum mechanics and computational modeling. Proficiency in quantum chemistry software packages (such as VASP, Quantum ESPRESSO, or Gaussian), programming languages (like Python or Fortran), and experience with HPC systems is typically required. Strong analytical thinking, effective scientific communication, and the ability to work independently and collaboratively are standout soft skills. These competencies are crucial for conducting advanced research, publishing impactful results, and contributing to interdisciplinary scientific teams.

What are some common challenges faced by postdoc DFT researchers when working on collaborative projects?

Postdoc DFT researchers often collaborate with experimentalists, theorists, and computational scientists, which requires clear communication and effective coordination. One common challenge is translating computational results into experimentally meaningful predictions, given the differences in language and expectations between disciplines. Additionally, managing computational resources and ensuring reproducibility of results can be demanding, especially when working with large datasets or complex systems. Working in interdisciplinary teams, postdocs must balance their independent research goals with group objectives and deadlines, fostering adaptability and strong teamwork skills.

What is the difference between Postdoc Dft vs Postdoctoral Research Associate?

AspectPostdoc DftPostdoctoral Research Associate
Required CredentialsPhD in relevant fieldPhD in relevant field
Work EnvironmentAcademic labs, research institutionsAcademic labs, research institutions
Employer & Industry UsageUniversities, research centersUniversities, research centers
Common Search & ComparisonYesYes

Both Postdoc Dft and Postdoctoral Research Associate roles typically require a PhD and involve research in academic or research institutions. The main difference lies in terminology; 'Postdoc Dft' is often used in specific regions or institutions, while 'Postdoctoral Research Associate' is more common in others. Both positions focus on advanced research, with similar work environments and employer types.

What are popular job titles related to Postdoc Dft jobs in Colorado? For Postdoc Dft jobs in Colorado, the most frequently searched job titles are:
What job categories do people searching Postdoc Dft jobs in Colorado look for? The top searched job categories for Postdoc Dft jobs in Colorado are:
Postdoc Dft jobs near you

Postdoctoral Researcher - Computational Synthesis of PGM-free Fuel Cell Catalysts

The National Renewable Energy Laboratory (NREL)

Golden, CO • On-site

$76K - $126K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 18 days ago

Job description

Posting Title
Postdoctoral Researcher - Computational Synthesis of PGM-free Fuel Cell Catalysts
Location
CO - Golden
Position Type
Postdoc (Fixed Term)
Hours Per Week
40
Working at NLR
NLR is located at the foothills of the Rocky Mountains in Golden, Colorado is the nation's primary laboratory for energy systems research and development.
Join the National Laboratory of the Rockies (NLR), where world-class scientists, engineers, and experts are accelerating energy innovation through breakthrough research and systems integration. From our mission to our collaborative culture, NLR stands out in the research community for its commitment to an affordable and secure energy future. Spanning foundational science to applied systems engineering and analysis, we focus on solving complex challenges to deliver advanced, secure, reliable, and cost-effective energy solutions. Our work helps strengthen U.S. industries, support job creation, and promote national economic growth.
At NLR, you'll find a mission-driven environment supported by state-of-the-art facilities, multidisciplinary research teams, and strong collaborations with industry, academia, and other national laboratories. We offer robust professional development opportunities, and a competitive benefits package designed to support your career and well-being.
Job Description
The Advance Computing Solutions group in the NLR Computational Science Center has an opening for a post doctoral researcher in computational synthesis, with a particular emphasize on machine-learned interatomic potentials (MLIPs). The researchers will train MLIPs, assess their accuracy and apply them to studying the relevant reaction energetics for synthesis of Fe-N-C fuel cell catalysts using automated workflows. In conjunction with a team of staff scientists, different synthetic precursors will be identified for subsequent synthesis.
We are looking for a dynamic, motivated researcher with a strong technical background and an interest in the mission of NLR. The successful candidate will collaborate with NLR staff and researchers to train and deploy MLIPs for the optimization of Fe-N-C catalyst synthesis.
Responsibilities include:
  • Fine-tuning of foundational model MLIPs with domain-specific data and assessment of their accuracy
  • Collaboration with NLR researchers to use the trained MLIPs to study the chemistry of Fe incorporation into N-C sites for different synthetic precusors
  • Developing automated workflows in conjunction with NLR and collaborating institutions, including automated analysis using AI
  • Processing and visualizing results from simulations provide chemical insight and intuition into important chemical reactions.
  • Authoring, presenting and assisting in the preparation of technical papers, reports and conference proceedings on topics related to MLIP studies of the synthesis of Fe-N-C fuel cell catalysts.

Basic Qualifications
Must be a recent PhD graduate within the last three years.
* Must meet educational requirements prior to employment start date.
Additional Required Qualifications
  • Excellent written and verbal communication skills.
  • Excellent knowledge of chemistry, including molecular dynamics and reaction modeling
  • Experience with the MACE-based foundational models and their fine-tuning
  • Experience with creating python environments for training MLIPs, performing MLIP-based molecular dynamics and nudged-elastic band calculations, and performing analysis of results with high throughput

Preferred Qualifications
  • Knowledge of workflow automation, including the use of AI for automated analysis of data.
  • Experienced running density functional theory (DFT) software packages such as JDFTx for VASP.

Job Application Submission Window
The anticipated closing window for application submission is up to 30 days and may be extended as needed.
Annual Salary Range (based on full-time 40 hours per week)
Job Profile: Postdoctoral Researcher / Annual Salary Range: $76,600 - $126,400
NLR takes into consideration a candidate's education, training, and experience, expected quality and quantity of work, required travel (if any), external market and internal value, including seniority and merit systems, and internal pay alignment when determining the salary level for potential new employees. In compliance with the Colorado Equal Pay for Equal Work Act, a potential new employee's salary history will not be used in compensation decisions.
Benefits Summary
Benefits include medical, dental, and vision insurance; short-term disability insurance*; pension benefits*; 403(b) Employee Savings Plan with employer match*; life and accidental death and dismemberment (AD&D) insurance; personal time off (PTO) and sick leave; and paid holidays. NLR employees may be eligible for, but are not guaranteed, performance-, merit-, and achievement- based awards that include a monetary component. Some positions may be eligible for relocation expense reimbursement.
* Based on eligibility rules
Badging Requirement
NLR is subject to Department of Energy (DOE) access restrictions. All employees must also be able to obtain and maintain a federal Personal Identity Verification (PIV) card as required by Homeland Security Presidential Directive 12 (HSPD-12), which includes a favorable background investigation.
Drug Free Workplace
NLR is committed to maintaining a drug-free workplace in accordance with the federal Drug-Free Workplace Act and complies with federal laws prohibiting the possession and use of illegal drugs. Under federal law, marijuana remains an illegal drug.
If you are offered employment at NLR, you must pass a pre-employment drug test prior to commencing employment. Unless prohibited by state or local law, the pre-employment drug test will include marijuana. If you test positive on the pre-employment drug test, your offer of employment may be withdrawn.
Submission Guidelines
Please note that in order to be considered an applicant for any position at NLR 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.
Equal Opportunity Employer
All qualified applicants will receive consideration for employment without regard basis of age (40 and over), color, disability, gender identity, genetic information, marital status, domestic partner status, military or veteran status, national origin/ancestry, race, religion, creed, sex (including pregnancy, childbirth, breastfeeding), sexual orientation, and any other applicable status protected by federal, state, or local laws.
Reasonable Accommodations
E-Verify www.dhs.gov/E-Verify For information about right to work, click here for English or here for Spanish.
E-Verify is a registered trademark of the U.S. Department of Homeland Security. This business uses E-Verify in its hiring practices to achieve a lawful workforce.

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