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Computational Chemistry Jobs in Indiana (NOW HIRING)

Varsity Tutors

Physical Chemistry Tutor

Indianapolis, IN · Remote

$18 - $40/hr

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Varsity Tutors

Physical Chemistry Tutor

Fort Wayne, IN · Remote

$18 - $40/hr

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Varsity Tutors

Physical Chemistry Tutor

Bloomington, IN · Remote

$18 - $40/hr

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Varsity Tutors

Physical Chemistry Tutor

Valparaiso, IN · Remote

$18 - $40/hr

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

micro1 AI

Computational Biologist - AI Reviewer

Carmel, IN · On-site +1

$90 - $120/hr

Analyze and annotate complex biological data sets, focusing on applications relevant to medicinal chemistry. * Provide feedback and domain-specific insights to improve AI models in computational ...

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Computational Chemistry information

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How much do computational chemistry jobs pay per hour?

As of Aug 11, 2026, the average hourly pay for computational chemistry in Indiana is $21.18, according to ZipRecruiter salary data. Most workers in this role earn between $17.40 and $23.32 per hour, depending on experience, location, and employer.

What is the difference between Computational Chemistry vs Chemist?

AspectComputational ChemistryChemist
Required CredentialsTypically requires a PhD in Chemistry, Chemical Engineering, or related fieldOften requires a Bachelor's or Master's degree in Chemistry or related discipline
Work EnvironmentPrimarily research labs, computer-based work, and simulationsLaboratories, industrial settings, or fieldwork
Industry UsageUsed in pharmaceuticals, materials science, and academia for modeling and simulationsInvolved in experimental research, product development, and quality control

Computational Chemists focus on computer-based modeling and simulations to understand chemical phenomena, while Chemists often perform hands-on experiments and laboratory work. Both roles are essential in advancing chemical research but differ mainly in their methods and work environments.

Do computational chemists make good money?

Computational chemists typically earn competitive salaries that vary based on experience, education, and location. Entry-level positions often start around $60,000 to $80,000 annually, with experienced professionals earning over $100,000, especially in research or industry roles that require advanced skills in programming and modeling tools.

What are some common challenges faced by computational chemists when collaborating with experimental teams?

Computational chemists often work closely with experimental chemists to design and interpret experiments, but one common challenge is ensuring clear communication about the limitations and accuracy of computational models. Translating complex simulation data into actionable insights for experimental teams can require extra effort, especially when addressing differences in terminology or expectations about timelines and results. Successful collaboration typically involves regular meetings, shared documentation, and a willingness to iterate on both computational predictions and experimental approaches.

Do I need a PhD to be a computational chemist?

A PhD is typically required for advanced roles in computational chemistry, especially those involving independent research or leadership. However, entry-level positions may be available to candidates with a master's degree or relevant experience in programming, chemistry, or related fields. Strong skills in computational tools and programming languages can also be valuable for career advancement.

Is computational chemistry a good career?

Computational chemistry is a growing field that involves using computer simulations and modeling to study chemical systems, often requiring skills in programming and chemistry. It offers opportunities in academia, industry, and research institutions, with a demand for expertise in software tools and data analysis. Job prospects depend on education level, experience, and specialization areas within the field.

What are the key skills and qualifications needed to thrive as a computational chemist?

To thrive as a Computational Chemist, you need a solid background in chemistry, physics, and mathematics, typically supported by an advanced degree (MSc or PhD) in chemistry or a related field. Proficiency in quantum chemistry software (such as Gaussian or VASP), programming languages (like Python or Fortran), and experience with high-performance computing systems are essential. Strong problem-solving skills, analytical thinking, and effective communication help you collaborate with interdisciplinary teams and convey complex findings. These skills and qualities are crucial for designing accurate simulations, interpreting data, and contributing valuable insights to research and development projects.

What is computational chemistry?

Computational chemistry is a branch of chemistry that uses computer simulation and mathematical models to study the structures, properties, and reactions of molecules. It allows scientists to predict the behavior of chemical systems by solving quantum mechanical and classical equations. This field plays a critical role in drug discovery, materials science, and understanding complex molecular interactions, often saving time and resources compared to experimental methods. Computational chemists use specialized software and high-performance computing to carry out their analyses and simulations.

What is computational chemistry?

Computational chemistry is a subdiscipline of chemistry, and it involves using computer simulation methods to analyze chemical compounds, molecules, and other problems in chemistry. Computational chemistry is necessary for solving complex problems in chemistry that do not have analytical solutions and require the use of powerful computing. Computational chemistry has many applications, and it is very common in pharmaceutical production and research where physicists, chemists, and other clinical researchers need to predict the properties of particular chemical reactions.

What can you do with a computational chemistry degree?

A computational chemistry degree prepares individuals for roles such as research scientist, drug developer, or materials scientist, where they use computer simulations and modeling to study chemical systems. Skills in programming, data analysis, and software tools like Gaussian or VMD are often essential for these positions.
More about Computational Chemistry jobs
What are the most commonly searched types of Computational Chemistry jobs in Indiana? The most popular types of Computational Chemistry jobs in Indiana are:
What are popular job titles related to Computational Chemistry jobs in Indiana? For Computational Chemistry jobs in Indiana, the most frequently searched job titles are:
What job categories do people searching Computational Chemistry jobs in Indiana look for? The top searched job categories for Computational Chemistry jobs in Indiana are:
What cities in Indiana are hiring for Computational Chemistry jobs? Cities in Indiana with the most Computational Chemistry job openings:
Computational Chemistry jobs near you
Infographic showing various Computational Chemistry job openings in Indiana as of August 2026, with employment types broken down into 1% Internship, 1% As Needed, 73% Full Time, 21% Part Time, 1% Temporary, and 3% Contract. Highlights an 88% Physical, 1% Hybrid, and 11% Remote job distribution, with an average salary of $44,050 per year, or $21.2 per hour.

Computational Chemistry/Toxicology Scientist

Vish Consulting Services Inc

Zionsville, IN • On-site

Contractor

Re-posted 17 days ago

Job description

VCS is looking for a computational chemistry/Toxicology Scientist for one of our client

Job Title - Computational Chemistry/Toxicology Scientist

Job Location - Indianapolis, IN 46077

Contract- 12+ Months with possible extension

Shift- Day M-F 40 hrs./week

Pay- 57/Hr.

Description:
The client has an exciting and challenging opportunity in the Predictive Safety Center within Regulatory Science for a Computational Scientist Contractor with expertise in c/Bioinformatics. The individual will partner with a multidisciplinary team to design, develop, and implement machine learning models to predict safety profiles of chemicals to support the discovery, development and registration of novel crop protection products. This position is located in Indianapolis, IN, while strong candidates working remotely will be considered.
Responsibilities:

  • Develop and apply chemistry structure-based predictive models for assessing safety profiles of early-stage discovery molecules
  • Assess potential mechanisms of toxicity by assessing ligand-protein binding affinity using protein structure alignment, binding pocket evaluation, and molecular docking
  • Work collaboratively with internal and external cross-functional multidisciplinary teams, collaborators, and consultants to implement in silico models to meet business needs
  • Serve as a subject matter expert on in silico modelling for the team and other partners in R&D sub-functions
  • Present the development and application of cheminformatics/bioinformatics approaches and novel ML/DL models internally and externally including scientific conferences
  • Keep abreast of the latest scientific development in the areas of machine learning, cheminformatics, bioinformatics, and related fields and identify technologies to be applied internally
  • Analyze complex datasets using machine learning approaches and interpret results to improve data-driven decision-making processes

Qualifications:

  • Ph.D. degree in Cheminformatics, Computational Chemistry, Computational Biology, Bioinformatics, Toxicology, or a related field
  • 3+ years of experience in developing machine learning models and applying cheminformatics/bioinformatics and AI for structure-based drug design, toxicology assessment, mechanism prediction
  • Strong technical background in machine learning, deep learning, and statistical modeling with prior experience in applying these techniques to process, analyze and draw insights from complex datasets involving chemical compound structures and toxicity endpoints
  • Demonstrated programming proficiency in Python and experience in utilizing machine learning libraries
  • Demonstrated in-depth knowledge in toxicology, chemistry, chemical structure, QSAR, protein structure
  • Knowledge in omics analysis and systems biology is a plus
  • Demonstrated teamwork and project leadership skills to manage multiple projects on different timelines for stakeholders across the business
  • Excellent communication and presentation skills to different stakeholder audiences

Thank You!

Bhanendra S Singh
Vish Consulting Services(VCS)
Bhanendra @vishusa.com