Jobs in computational materials science include academic and research positions in university settings. You can also find positions in the manufacturing industry. As a research scientist in computational materials science, your duties are to develop hypotheses and test them using computational modeling software and a variety of investigatory tools, such as Monte Carlo algorithms, density function theory, phase field models, and finite element methods. Your responsibilities include gathering data, testing modeling software, collaborating with other researchers to develop tools that aid them in their research, and analyzing data to write reports, journal articles, or presentations for conferences.

If you are interested in a job related to Computational Materials Science, here are some popular related job searches with the most open positions on ZipRecruiter.

Top Types Of Computational Materials Science Jobs

List of the top 10 highest paying Computational Materials Science positions in 2026, with salary ranges, according to ZipRecruiter.

Entry Level Computational Chemistry
Salary range: $38,000 - $55,500
Entry Level Computational Chemistry is a more unusual job search query but still may give you interesting job results. Most salaries for Entry Level Computational Chemistry jobs pay between $38,000 (25th percentile) and $55,500 (75th percentile) annually. Currently, there are not many open positions nationwide for Entry Level Computational Chemistry job searches hiring now on ZipRecruiter. You can take a look at what is available and find similar job searches in this list.
Computational Materials Dft
Salary range: $27,500 - $36,500
Computational Materials Dft is a more unusual job search query but still may give you interesting job results. Most salaries for Computational Materials Dft jobs pay between $27,500 (25th percentile) and $36,500 (75th percentile) annually. Take a look at the variety of open positions nationwide for Computational Materials Dft job searches hiring now on ZipRecruiter.
Theoretical Computational Chemistry
Salary range: $74,500 - $182,000
Theoretical Computational Chemistry is a more unusual job search query but still may give you interesting job results. Most salaries for Theoretical Computational Chemistry jobs pay between $74,500 (25th percentile) and $182,000 (75th percentile) annually. Take a look at the variety of open positions nationwide for Theoretical Computational Chemistry job searches hiring now on ZipRecruiter.
Computational Chemistry Software Developer
Salary range: $90,000 - $130,000
Computational Chemistry Software Developer is a more unusual job search query but still may give you interesting job results. Most salaries for Computational Chemistry Software Developer jobs pay between $90,000 (25th percentile) and $130,000 (75th percentile) annually. Take a look at the variety of open positions nationwide for Computational Chemistry Software Developer job searches hiring now on ZipRecruiter.
Utk Edu
Salary range: $30,000 - $40,000
Utk Edu is a typical job search query Most salaries for Utk Edu jobs pay between $30,000 (25th percentile) and $40,000 (75th percentile) annually. Currently, there are not many open positions nationwide for Utk Edu job searches hiring now on ZipRecruiter. You can take a look at what is available and find similar job searches in this list.
Postdoctoral Materials Science
Salary range: $49,000 - $66,500
Postdoctoral Materials Science is a more unusual job search query but still may give you interesting job results. Most salaries for Postdoctoral Materials Science jobs pay between $49,000 (25th percentile) and $66,500 (75th percentile) annually. Currently, there are not many open positions nationwide for Postdoctoral Materials Science job searches hiring now on ZipRecruiter. You can take a look at what is available and find similar job searches in this list.
Biology Data Scientist
Salary range: $98,500 - $136,000
Biology Data Scientist is a common job search query. Most salaries for Biology Data Scientist jobs pay between $98,500 (25th percentile) and $136,000 (75th percentile) annually. You’ll find many open positions nationwide for Biology Data Scientist job searches hiring now on ZipRecruiter.
Ecology Data Science
Salary range: $98,500 - $136,000
Ecology Data Science is a typical job search query Most salaries for Ecology Data Science jobs pay between $98,500 (25th percentile) and $136,000 (75th percentile) annually. There are plenty of open positions nationwide for Ecology Data Science job searches hiring now on ZipRecruiter.
Electrical Engineering Postdoctoral Research
Salary range: $56,000 - $116,000
Electrical Engineering Postdoctoral Research is a more unusual job search query but still may give you interesting job results. Most salaries for Electrical Engineering Postdoctoral Research jobs pay between $56,000 (25th percentile) and $116,000 (75th percentile) annually. Take a look at the variety of open positions nationwide for Electrical Engineering Postdoctoral Research job searches hiring now on ZipRecruiter.
Internship Condensed Matter Physics
Salary range: $30,000 - $34,000
Internship Condensed Matter Physics is a more unusual job search query but still may give you interesting job results. Most salaries for Internship Condensed Matter Physics jobs pay between $30,000 (25th percentile) and $34,000 (75th percentile) annually. Currently, there are not many open positions nationwide for Internship Condensed Matter Physics job searches hiring now on ZipRecruiter. You can take a look at what is available and find similar job searches in this list.

All Jobs Computational Materials Science Jobs 10 of the Most Popular Types of Computational Materials Science Jobs in 2026