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Computational Catalysis Jobs (NOW HIRING)

Virginia Tech

Postdoctoral Associate

Blacksburg, VA

... computational tools for data processing, such as Python, MATLAB, or equivalent. - Prior involvement in data-driven research projects in heterogeneous catalysis, reaction engineering, or related ...

Ucf

Post Doctoral Scholar, Physics

Orlando, FL

The Computational Materials for Energy Technologies (CoMET) group, led by Assistant Professor Duy ... Strong background in heterogeneous catalysis, electrocatalysis, and/or battery technologies.

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How much do computational catalysis jobs pay per hour?

As of Jul 23, 2026, the average hourly pay for computational catalysis in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive in the Computational Catalysis position, and why are they important?

To thrive in Computational Catalysis, you need solid expertise in chemistry, materials science, and computational modeling, often supported by an advanced degree such as a PhD in a relevant field. Familiarity with quantum chemistry software (e.g., VASP, Gaussian, or Quantum ESPRESSO), high-performance computing environments, and coding languages like Python is typically essential. Strong analytical thinking, problem-solving abilities, and effective communication are vital soft skills for conveying complex ideas and collaborating with multidisciplinary teams. These skills ensure accurate simulation of catalytic processes and foster innovation in developing efficient catalysts for industry applications.

What are some of the typical daily responsibilities for a professional in Computational Catalysis?

Professionals in Computational Catalysis spend their days designing and running computer simulations of catalytic systems, analyzing large sets of data, and interpreting results to gain insights into chemical reactions. They often collaborate closely with experimental chemists and materials scientists to validate findings or suggest new experiments. Managing projects, preparing technical reports or publications, and staying updated on the latest computational methods are also common parts of the role. This mix of technical analysis, teamwork, and continuous learning creates a dynamic and intellectually stimulating work environment.

What is a Computational Catalysis job?

A Computational Catalysis job involves using theoretical models, simulations, and data analysis to study and design catalysts for chemical reactions. By leveraging quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning, computational catalysis helps predict reaction mechanisms, optimize catalyst performance, and guide experimental efforts. Professionals in this field work in academia, industry, or research institutions, often collaborating with experimental chemists and engineers to accelerate catalyst discovery and improve industrial processes.

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Computational Catalysis jobs near you
Infographic showing various Computational Catalysis job openings in the United States as of July 2026, with employment types broken down into 4% Internship, 1% As Needed, 33% Full Time, 57% Part Time, 1% Contract, and 4% Nights. Highlights an 41% Physical, and 59% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.
POSTDOCTORAL RESEARCHER - Biochemistry - Qin Lab [Req#: 957220, Position#: 114052]

POSTDOCTORAL RESEARCHER - Biochemistry - Qin Lab [Req#: 957220, Position#: 114052]

UT Southwestern Medical Center

Dallas, TX • On-site

Full-time

Posted 16 days ago

UT Southwestern rating

8.0

Company rating: 8.0 out of 10

Based on 150 frontline employees who took The Breakroom Quiz

87th of 889 rated healthcare providers

Job description

Description
Position Summary
The Department of Biochemistry at UT Southwestern Medical Center invites applications for a Postdoctoral Research Fellow to join the laboratory of Dr. Tian Qin. The Qin laboratory develops innovative synthetic methodologies that enable the efficient construction of complex, bioactive molecules, natural products, and pharmaceutical compounds. The lab combines modern synthetic organic chemistry with applications in medicinal chemistry, chemical biology, and drug discovery to address important problems in human health.
The successful candidate will lead independent research while collaborating with a multidisciplinary team of chemists and biomedical scientists. This position offers an exceptional opportunity to develop cutting-edge synthetic methods and translate them toward biologically relevant molecules with therapeutic potential.
Research Areas
Current research programs in the Qin laboratory include:
  • Development of novel catalytic and radical-mediated synthetic transformations
  • Late-stage functionalization of pharmaceuticals and complex molecules
  • Synthesis of bioactive natural products and structurally complex small molecules
  • Design and synthesis of three-dimensional (sp³-rich) bioisosteres for medicinal chemistry
  • Development of synthetic strategies that accelerate drug discovery
  • Collaborative chemical biology projects involving therapeutic target validation and probe development
  • Translation of synthetic methodologies toward applications in oncology, infectious disease, and gene delivery technologies
Essential Duties and Responsibilities
  • Design and execute innovative research in synthetic organic chemistry.
  • Develop new synthetic methodologies, reaction mechanisms, and catalytic transformations.
  • Plan and synthesize complex target molecules, natural products, and medicinally relevant compounds.
  • Apply modern synthetic techniques to enable medicinal chemistry and chemical biology collaborations.
  • Characterize reaction products using NMR spectroscopy, LC-MS, HRMS, chromatography, and related analytical techniques.
  • Design experiments to investigate reaction mechanisms and optimize synthetic processes.
  • Maintain detailed laboratory records and analyze experimental data.
  • Prepare manuscripts for publication in leading peer-reviewed journals and present findings at national and international scientific meetings.
  • Assist with grant preparation and contribute scientific ideas to new research initiatives.
  • Mentor graduate students, undergraduate researchers, and visiting scientists.
  • Foster a collaborative, safe, and intellectually engaging laboratory environment.

Qualifications
Minimum Qualifications
  • Ph.D. in Organic Chemistry, Medicinal Chemistry, Chemical Biology, or a closely related discipline.
  • Strong publication record demonstrating excellence in synthetic organic chemistry.
  • Demonstrated experience with modern synthetic methodologies and multistep organic synthesis.
  • Demonstrated ability to work independently while contributing effectively within a collaborative research environment.
  • Excellent written and verbal scientific communication skills.
Preferred Qualifications
Candidates with one or more of the following areas of expertise are particularly encouraged to apply:
  • Radical chemistry and photoredox catalysis
  • Transition metal catalysis
  • Organoboron chemistry
  • Heterocyclic chemistry
  • Natural product synthesis
  • Late-stage functionalization
  • Medicinal chemistry
  • Reaction mechanism investigation
  • High-throughput experimentation
  • Chemical biology or interdisciplinary collaborative research

Experience with computational chemistry, reaction optimization, or medicinal chemistry collaborations is advantageous but not required.
Ideal Candidate
The successful candidate will be a highly motivated scientist with creativity, intellectual curiosity, and a passion for developing innovative synthetic solutions to challenging chemical and biomedical problems. Candidates should demonstrate strong problem-solving abilities, scientific independence, and a commitment to collaborative research.
UT Southwestern Medical Center is one of the nation's premier academic medical centers, offering exceptional resources for interdisciplinary research. The Qin laboratory collaborates broadly with investigators across chemistry, structural biology, cancer biology, pharmacology, and translational medicine. Current research has resulted in high-impact publications in Journal of the American Chemical Society, Nature Chemistry, Nature Reviews Chemistry, Nature Synthesis, Science, and other leading journals.
Opportunities
The Postdoctoral Research Fellow will have opportunities to:
  • Publish in leading scientific journals.
  • Present research at national and international conferences.
  • Build collaborations with investigators across UT Southwestern.
  • Mentor junior laboratory members.
  • Develop an independent research portfolio to prepare for careers in academia, biotechnology, or the pharmaceutical industry.
  • Participate in career development and professional training programs offered through UT Southwestern.

Application Instructions
Interested individuals must upload a CV, and a list of three references.

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