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Atomistic Simulations Jobs in Texas (NOW HIRING)

Atomistic Simulations information

What are atomistic simulations?

Atomistic simulations are computational methods used to model and study the behavior of materials and molecules at the atomic scale. By simulating the interactions between individual atoms, these techniques help scientists understand material properties, chemical reactions, and biological processes. Common approaches include molecular dynamics (MD) and Monte Carlo simulations, which predict how atoms move and interact over time. Atomistic simulations are widely used in chemistry, physics, materials science, and biology to complement experimental research and design new materials.

What are the key skills and qualifications needed to thrive as an atomistic simulation scientist, and why are they important?

To excel as an Atomistic Simulation Scientist, you need a strong background in physics, chemistry, or materials science, often supported by a relevant advanced degree and experience in computational modeling. Familiarity with simulation software such as LAMMPS, VASP, or GROMACS, as well as programming languages like Python or Fortran, is essential. Strong analytical thinking, problem-solving abilities, and effective communication skills help you interpret results and collaborate with interdisciplinary teams. These competencies are crucial for designing accurate simulations, deriving meaningful insights, and advancing research or product development.

What are some common challenges faced by professionals working in atomistic simulations, and how can they be addressed?

Professionals in atomistic simulations often encounter challenges such as managing large datasets, ensuring the accuracy of computational models, and optimizing simulation performance. Collaborating closely with interdisciplinary teams—including experimentalists, computational scientists, and software engineers—helps overcome these barriers. Staying updated with the latest software tools and high-performance computing resources is also essential for efficient workflow. Regularly validating simulation results against experimental data enhances credibility and reliability in findings.

What is the difference between Atomistic Simulations vs Computational Chemist?

AspectAtomistic SimulationsComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Physics, or related fields; knowledge of simulation softwareBachelor's or Master's in Chemistry, Chemical Engineering, or related; strong computational skills
Work EnvironmentResearch labs, academic institutions, industry R&DResearch labs, pharmaceutical companies, academia
Industry UsageMaterial science, nanotechnology, molecular modelingDrug discovery, material design, chemical analysis

Atomistic Simulations involve modeling materials or molecules at the atomic level using computational methods. Computational Chemists apply these techniques to solve chemical problems, often utilizing atomistic simulations as part of their work. While both roles require similar educational backgrounds and work environments, atomistic simulations focus specifically on the simulation techniques, whereas computational chemists may also include data analysis and experimental design.

Postdoctoral Research Associate

Texas State University

San Marcos, TX • On-site

Temporary

Re-posted 3 days ago


Texas State University rating

6.3

Company rating: 6.3 out of 10

Based on 28 frontline employees who took The Breakroom Quiz

529th of 616 rated colleges and universities


Job description

Posting Information
Posting Information
Position Title
Postdoctoral Research Associate
Job Posting Number
2026109NTL
Job Location
San Marcos
College/Division
College of Science and Engineering
Department/School
Ingram School of Engineering
Position Description
Texas State University is a doctoral-granting institution with high research activity, dedicated to advancing innovation and expanding the frontiers of research. Our Ultrawide Bandgap Semiconductor (UWBG) lab focuses on developing next-generation UWBG materials and process technologies based on diamond, III-nitrides, and Ga₂O₃ for high-power, high-frequency, and extreme-environment electronics. Our research integrates advanced thin-film growth, laser-based processing, doping strategies, and interface engineering to enable energy-efficient, radiation-hardened, and thermally robust electronic systems, with applications spanning power electronics, space systems, and national defense technologies.
Position Overview:
Under the Nathinal Science Foundation and Department of Defense grants, we are seeking a highly motivated and talented Postdoctoral Research Fellow to join our UWBG Semiconductor Lab. The successful candidate will work on cutting-edge research projects focused on ultrawide bandgap materials (e.g., diamond, III-nitrides, and Ga₂O₃), advancing next-generation electronic devices through innovations in thin film epitaxy, doping, interface engineering, and laser-based processing to achieve superior performance, thermal management, and energy efficiency in high-power and high-frequency applications.
Key Responsibilities:
  • Conduct research on ultrawide bandgap (UWBG) semiconductor materials (e.g., diamond, III-nitrides, Ga₂O₃), focusing on heteroepitaxial growth, doping, defect engineering, and thermal management.
  • Investigate thermal transport, interface engineering, and heat dissipation strategies in high-power and high-frequency electronic devices through experimental and modeling approaches.
  • Develop and optimize thin-film growth and processing techniques (e.g., CVD, PLD, sputtering, laser annealing) for next-generation semiconductor devices.
  • Perform primarily experimental research, with a smaller component involving materials modeling and atomistic simulations to support and interpret experimental results.
  • Collaborate with a multidisciplinary team spanning materials science, electrical engineering, and device physics.
  • Publish research findings in high-impact journals and present at leading academic and industry conferences.
  • Assist the PI in research proposal development for federal funding agencies and mentor graduate and undergraduate students and support their research and professional development.

This position is subject to the availability of funds.
Required Qualifications
  • Ph.D. in Materials Science, Electrical Engineering, Physics, or a closely related field, completed within the last 2 years or expected within the next 3 months.
  • Strong background in semiconductor materials growth physics and heterointerface engineering, particularly in UWBG materials (e.g., diamond, III-nitrides, Ga₂O₃) or related areas.
  • Knowledge of thin-film growth & characterization, semiconductor processing, and materials characterization techniques (e.g., CVD, PLD, MBE, laser processing, structural/electrical/optical/thermal characterization).
  • Modeling, Programming and data analysis skills using tools such as COMSOL Multiphysics, MATLAB, Python, or similar scientific computing platforms.
  • Hands-on experimental experience in laboratory settings, including instrumentation, materials processing/characterization, and lab safety components.
  • Familiarity with materials modeling or atomistic simulation methods (e.g., molecular dynamics, DFT) is a plus.
  • Demonstrated ability to work in a collaborative, multidisciplinary research environment with strong written and oral communication skills in English.
  • Proven record of research productivity, evidenced by publications in reputable journals and conference proceedings.
  • Strong problem-solving skills, self-motivation, and a commitment to high-quality research and career growth.

Preferred Qualifications
  • Strong background in semiconductor device fabrication, thin-film growth, and materials characterization, particularly for ultrawide bandgap (UWBG) materials such as diamond, III-nitrides, and Ga₂O₃.
  • Familiarity with materials modeling or atomistic simulations (e.g., molecular dynamics, DFT) to complement experimental work.
  • Experience with laser-based processing, interface engineering, or thermal management in high-power electronic devices.
  • Demonstrated ability to independently design and execute research projects, analyze results, and publish in high-impact journals.

Application Procedures
Only applications submitted through the Texas State university website will be accepted and considered, https://jobs.hr.txstate.edu/postings/56774
To ensure full consideration, please submit the following by May 15, 2026. The position will remain open until a suitable candidate is identified:
  • A cover letter detailing their research interests and relevant experience.
  • A current curriculum vitae (CV).
  • A statement of research plan/interest
  • Unofficial Transcripts (all in one document).
  • Copies of up to three representative publications.

The selected candidate will need to provide official transcripts from all degree-granting universities.
Type of Position
Temporary Full-Time or Part-Time
Proposed Start Date
Posting Date
04/24/2026
Review Date
05/15/2026
Close Date
Open Until Filled?
Yes
Legal Notices
Texas State University is committed to a policy of non-discrimination and equal opportunity for all persons regardless of race, sex, color, religion, national origin or ancestry, age, marital status, disability, veteran status, or any other basis protected by federal or state law in employment, educational programs, and activities and admissions.
Employment with Texas State University is contingent upon the outcome of record checks and verifications including, but not limited to, criminal history, driving records, education records, employment verifications, reference checks, and employment eligibility verifications.
This position may conduct research on critical infrastructure depending on the research focus of a hire. Consistent with the requirements of the State of Texas, individuals conducting research on critical infrastructure will be subject to pre-employment, and then subsequent routine background checks/cybersecurity screenings. Employment will at all times be contingent upon the successful completion of these screenings in accordance with State and University requirements.
Reasonable Accommodation
If you experience accessibility issues or require alternative formatting during the application process due to a disability or underlying condition, we request that you contact Talent Acquisition for assistance. A representative from Talent Acquisition will respond to you as soon as possible.
Record Checks and Verifications
Employment with Texas State University is contingent upon the outcome of record checks and verifications including, but not limited to, criminal history, driving records, education records, employment verifications, reference checks, and employment eligibility verifications.
Eligibility for Employment
In accordance with federal law, all new employees must complete the Form I-9 and provide acceptable documentation verifying their identity and authorization to work in the United States. Texas State University participates in E-Verify, and employment is contingent upon the successful verification of work authorization. Employees are required to maintain valid work authorization to satisfy the conditions of Form I9 at all times during their employment and the university makes no implicit or explicit promises to financially support visa or permanent residency applications.
Why Work at Texas State?
Texas State University is a large, student-centered public research institution serving more than 40,000 students across undergraduate, graduate, and doctoral programs in San Marcos and Round Rock. Classified as a Carnegie Doctoral University with High Research Activity (R2), TXST is actively advancing its ambitious Run to R1 strategy, demonstrating sustained growth in research activity, doctoral education, and scholarly impact.
Faculty at TXST join a vibrant academic community of over 5,000 faculty and staff committed to excellence in teaching, research, and service. The university offers a collaborative, supportive environment, and interdisciplinary scholarship. Outstanding faculty are drawn to TXST for the opportunity to make a meaningful impact-advancing research, mentoring a growing student body, and helping shape the future of a rapidly growing research university.
Quick Link
https://jobs.hr.txstate.edu/postings/56774
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