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What are the key skills and qualifications needed to thrive as a Postdoc in Density Functional Theory (DFT), and why are they important?

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 are Postdoc DFT positions?

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 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.

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What job categories do people searching Postdoc Dft jobs look for? The top searched job categories for Postdoc Dft jobs are:
Postdoc Dft jobs near you
Infographic showing various Postdoc Dft job openings in the United States as of May 2026, with employment types broken down into 92% Full Time, and 8% Temporary. Highlights an 100% In-person job distribution.
Nuclear Quantum Dynamics Postdoc Research Associate

Nuclear Quantum Dynamics Postdoc Research Associate

Los Alamos National Laboratory

Los Alamos, NM • On-site

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 2 days ago

Los Alamos National Laboratory rating

9.2

Company rating: 9.2 out of 10

Based on 32 frontline employees who took The Breakroom Quiz

7th of 103 rated laboratories

Job description

Description
Job Title Nuclear Quantum Dynamics Postdoc Research Associate
Location Los Alamos, NM, US
Organization Name Physics And Chemistry Of Materials/T-1
Minimum Salary
Maximum Salary
What You Will Do
The Physics and Chemistry of Materials group (T-1) in the Theoretical Division at Los Alamos National Laboratory is seeking outstanding candidates for a postdoctoral research associate position on developing advanced quantum dynamics methods for nuclear quantum effects.
Successful candidates will join a multidisciplinary, multi-institutional team (with expertise spanning electronic structure, quantum dynamics, spectroscopies, computer science and applied mathematics) focused on 1) developing scalable tensor network method for simulating nuclear quantum dynamics in condense phase, 2) advancing theoretical spectroscopic techniques by leveraging quantum information science, 3) designing high-performance algorithms to enhance the efficiency and applicability of the developed methods, and 4) demonstrating the impact of NQE in both model and realistic functional systems and linking theory with experiments to advance understanding of quantum-driven chemical and energy transduction.
We provide unique opportunities for cross cross-disciplinary and cross-institutional collaborations, scientific workshop organization, and conference attendance.
What You Need
Minimum Job Requirements:
  • A Ph.D. in Physics, Chemistry, Materials Science, or related physical sciences, completed within the last 5 years or to be completed soon.
  • Programming experience (either Fortran, C/C++, or Python)
  • Demonstrated experience in conducting original scientific research through peer-reviewed publication records.
  • Excellent communication and writing skills.

Desired Qualifications:
In addition to the minimum requirements, the following qualifications are desired, and preference will be given to candidates satisfying at least one of them:
Solid Background in quantum dynamics
  • Demonstrated experience in developing quantum or mixed quantum-classical dynamic methods like tensor network, multiple-configurational Time dependent Hartree, Ab initio Multiple Cloning/spawning, ...
  • Demonstrated experience in electronic structure methods (either DFT, semiempirical or post-HF methods)
  • Experience with developing reduced-scaling algorithms or massively parallel algorithms.
  • Experience with High Performance Computing (HPC) or GPU programming.
  • The ability to work creatively and independently as well as learn and collaborate with experts as a part of a diverse multi-disciplinary team.
  • Demonstrated ability to work independently and with minimum supervision.
  • Ability to adapt to new requirements for projects and be flexible enough to learn new areas of research as needed.
Location: This position will be located in Los Alamos, NM.
Note to Applicants:
Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China-including the special administrative regions of Hong Kong and Macau-as well as citizens of the Islamic Republic of Iran, the Democratic People's Republic of Korea (North Korea), and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory.
  • The appointment is for a duration of two years, with the possibility of a third-year extension based on performance evaluation.
  • Outstanding candidates may be considered for a Director's Postdoc Fellowship or for the prestigious Richard P. Feynman, Darleane Christian Hoffman, J. Robert Oppenheimer, or Frederick Reines Distinguished Postdoc Fellowships.
  • For more information about the Postdoc Program, please go to https://www.lanl.gov/engage/collaboration/postdoctoral-research

Contact: Dr. Yu Zhang (zhy@lanl.gov)
Work Schedule: N/A
Where You Will Work
Located in beautiful northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary
research institution engaged in strategic science on behalf of national security. Our generous benefits
package includes:
• PPO or High Deductible medical insurance with the same large nationwide network
• Dental and vision insurance
• Free basic life and disability insurance
• Paid maternity and parental leave
• Award-winning 401(k) (6% matching plus 3.5% annually)
• Learning opportunities and tuition assistance
• Flexible schedules and time off (paid sick, vacation, and holidays)
• Onsite gyms and wellness programs
• Extensive relocation packages (outside a 50 mile radius)
Additional Details
Directive 206.2 - Employment with Triad requires a favorable decision by NNSA indicating employee is suitable under NNSA Supplemental Directive 206.2. Please note that this requirement applies only to citizens of the United States. Foreign nationals are subject to a similar requirement under DOE Order 142.3A.
Position does not require a security clearance. Selected candidates will be subject to drug testing and other pre-employment background checks.
New-Employment Drug Test: The Laboratory requires successful applicants to complete a new-employment drug test and maintains a substance abuse policy that includes random drug testing. Although New Mexico and other states have legalized the use of marijuana, use and possession of marijuana remain illegal under federal law. A positive drug test for marijuana will result in termination of employment, even if the use was pre-offer.
Equal Opportunity: Los Alamos National Laboratory is an equal opportunity employer and supports a diverse and inclusive workforce. All employment practices are based on qualification and merit, without regard to race, color, national origin, ancestry, religion, age, sex, gender identity, sexual orientation or preference, marital status or spousal affiliation, physical or mental disability, medical conditions, pregnancy, status as a protected veteran, genetic information, or citizenship within the limits imposed by federal laws and regulations. The Laboratory is also committed to making our workplace accessible to individuals with disabilities and will provide reasonable accommodations, upon request, for individuals to participate in the application and hiring process. To request such an accommodation, please send an email to applyhelp@lanl.gov or call 1-505-665-4444 option 1.
Instructions on How to Activate/Create a LANL Jobs Account:
Follow the instructions below if you have ever had an employee Z number, been a contractor, or received Los Alamos Lab insurance coverage to activate your account:
  • Select the Click Here button if you have been employed with the Lab or received insurance coverage .
  • Please enter only your first and last name and current email address (an email with your validation code will be sent to you) to activate the account currently in our system.
  • Enter your validation code as described in the email you receive and complete the 3-page registration form. Your account is now active, and you can apply for jobs or save to your basket. Important : Enter the validation code within 15 days to activate your account or your account will be deactivated

Follow the instructions below if you if you have never been employed with the Lab or received insurance coverage to create an account:
  • Select the Register button if you have never been employed with the Lab or received insurance coverage to Create an Account.
  • From here, you will establish an account with username and password

How to Apply: How to Apply: Login to Your Account to Complete the Application Process
Click the Vacancy Name number (in blue) to view any job's details.
  • Click Apply or Add to Basket to apply later. Tip : To apply for a job or save your basket, you must have a LANL jobs account.

If you experience any technical issues, please email applyhelp@lanl.gov for assistance.
Employment Status Full Time
Appointment Type Postdoc
Postdoc
Contact Details
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