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Intern Computational Chemistry Jobs (NOW HIRING)

Nanite Inc.

Machine Learning Engineer

Boston, MA

The research intern will be in a fast-paced start-up environment playing a crucial technical role ... Experience with cheminformatics, computational chemistry, computational biology databases, data ...

Nanite Inc.

Machine Learning Engineer

Boston, MA · On-site

The research intern will be in a fast-paced start-up environment playing a crucial technical role ... Experience with cheminformatics, computational chemistry, computational biology databases, data ...

Iff

Intern

Union, SC · On-site

$13.25 - $17.75/hr

... computational sciences. The ideal candidate should have knowledge or hands-on experience with at ... Strong academic record in chemistry, computer science, biochemistry, or informatics. * Fundamental ...

Primateria

Research Intern at Primateria

Palo Alto, CA

$20K/mo

You are currently in a graduate degree program or hold a graduate degree in physics, chemistry, computational chemistry, applied mathematics, electrical engineering, computer science, or a related ...

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Intern Computational Chemistry information

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$20K

$113.3K

$218K

How much do intern computational chemistry jobs pay per year?

As of Jun 17, 2026, the average yearly pay for intern computational chemistry in the United States is $113,297.00, according to ZipRecruiter salary data. Most workers in this role earn between $48,000.00 and $170,500.00 per year, depending on experience, location, and employer.

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

To thrive as an Intern in Computational Chemistry, you generally need a solid background in chemistry, physics, and mathematics, often demonstrated by ongoing coursework in a related degree program. Familiarity with computational tools such as molecular modeling software (e.g., Gaussian, Schrodinger) and basic programming skills in Python or similar languages are typically required. Strong analytical thinking, attention to detail, and effective teamwork and communication skills help interns excel in collaborative research environments. These competencies are vital because they enable interns to contribute meaningfully to research projects, interpret complex simulation results, and work efficiently within multidisciplinary teams.

What does an Intern Computational Chemistry do?

An Intern in Computational Chemistry applies computer-based techniques to analyze and predict chemical properties and behaviors. They assist in molecular modeling, simulations, and data analysis to support research and drug discovery. Typically, they work with software tools and programming languages like Python or MATLAB. Their role helps improve efficiency in chemical research by reducing the need for physical experiments.

What typical daily tasks and responsibilities can I expect as an Intern in Computational Chemistry?

As an Intern in Computational Chemistry, you can expect to spend much of your day running simulations, analyzing molecular data, and assisting with the interpretation of computational results. You'll often support senior researchers by preparing input files for software, troubleshooting issues, documenting findings, and participating in group meetings or discussions. Depending on the organization, you may also contribute to preparing scientific reports or presentations. Collaboration with chemists, biologists, and data scientists is common, and you'll gain hands-on experience with industry-standard computational tools. This role provides valuable exposure to real-world research environments and is an excellent stepping-stone toward more advanced scientific or technical careers.

More about Intern Computational Chemistry jobs
What cities are hiring for Intern Computational Chemistry jobs? Cities with the most Intern Computational Chemistry job openings:
What are the most commonly searched types of Computational Chemistry jobs? The most popular types of Computational Chemistry jobs are:
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Intern Computational Chemistry jobs near you
Infographic showing various Intern Computational Chemistry job openings in the United States as of June 2026, with employment types broken down into 56% Full Time, 40% Part Time, and 4% Contract. Highlights an 95% Physical, 2% Hybrid, and 3% Remote job distribution, with an average salary of $113,297 per year, or $54.5 per hour.

Machine Learning Engineer

Nanite Inc.

Boston, MA

Full-time

Posted 9 days ago

Job description

Our mission is to deliver the undeliverable.

 

Nanite is a disruptive Machine Learning/AI therapeutics company focused on revolutionizing drug delivery. The research intern will be in a fast-paced start-up environment playing a crucial technical role in generating cell culture and transfection data. The candidate will work with senior leadership and partner projects gaining broad internal and external exposure.

Essential Functions and Duties

  • Design and implement complex data engineering processes to support innovative data science modeling
  • Collaborate with chemistry and biology research teams to design data pipelines, analyze experimental data and implement experimentally actionable feed-back loops
  • Apply and deploy established and novel statistical and machine learning algorithms to explore, understand and optimize properties of the vast delivery vehicle space, both in silico and experimentally
  • Develop robust, scalable workflows and maintain security controls to protect sensitive data across cloud and on-premise environments
  • Coordinate with cross-functional teams to deploy models and communicate results and with a focus on computational efficiency, performance, and usability
  • Design of repositories, CI/CD pipelines and integration tests for ML workflows

Qualifications

MS in Computer Science, Data Science, Statistics, Computational Biology, Computational Chemistry, or a related discipline with 2 years hands-on machine learning experience. 

Knowledge, Skills, and Abilities

  • Track record developing statistical and machine learning models for complex and unconventional real-life problems
  • Strong mathematical and coding skills
  • Proficiency in Python,  MLOps (W&B, MLFlow) and ML packages (scikit-learn, PyTorch, JAX), along with SQL and AWS.
  • Familiarity with ML workflow best practices.
  • Interest in applications of machine learning in biotechnology
  • Strong communication skills, both written and verbal
  • Experience doing research and working with interdisciplinary teams

Additional Preferred Experience (desired, but not essential):

  • Experience in an industry setting related to biotechnology, chemicals, or materials manufacturing
  • Experience with cheminformatics, computational chemistry, computational biology databases, data structures, material science and modelling package

Computer and modeling work required, this is an on-site position based in the Seaport of Boston, MA.

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