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Computational Scientist Jobs in Indiana (NOW HIRING)

Vivum AI

Computational Neuroethologist

Bloomington, IN · On-site

Required : • Strong background in neuroethology • Strong background in cognitive science • Strong background in computational modeling Company : The Biological Intelligence Company for Scalable ...

Elanco

Senior Research Scientist

Indianapolis, IN · On-site

$94K - $120K/yr

Collaborate with Computational Sciences to develop machine learning models for hit expansion and property prediction. * Target De-risking, Biomarkers & Translational Models: Develop strategies to de ...

Socket.dev

Senior Research Scientist

Indianapolis, IN · On-site

$120 - $190/hr

Collaborate with Computational Sciences to develop machine learning models for hit expansion and property prediction. * Target De-risking, Biomarkers & Translational Models: Develop strategies to de ...

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Computational Scientist information

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How much do computational scientist jobs pay per year?

As of Aug 26, 2026, the average yearly pay for computational scientist in Indiana is $105,950.00, according to ZipRecruiter salary data. Most workers in this role earn between $89,900.00 and $130,400.00 per year, depending on experience, location, and employer.

What is a computational scientist?

A Computational Scientist uses advanced computing techniques, algorithms, and simulations to solve complex scientific and engineering problems. They work across various fields, such as physics, biology, chemistry, and engineering, developing models and running simulations to analyze large datasets. Their role often involves programming, data analysis, and collaboration with domain experts to gain insights and make predictions.

What does a computational scientist do?

A typical day for a Computational Scientist may involve developing and running computer simulations, analyzing large datasets, or creating algorithms to address complex scientific problems. You might spend time coding, troubleshooting computational models, collaborating with researchers or engineers, and documenting your findings. The work often involves both independent problem-solving and teamwork within multidisciplinary groups. Additionally, presenting results, preparing research papers, or contributing to grant proposals could be regular tasks, depending on your specific employer and industry. This dynamic role offers a blend of technical challenges and opportunities for innovation.

What skills and qualifications are needed to thrive as a computational scientist?

To thrive as a Computational Scientist, you need strong analytical skills, advanced knowledge of mathematics and computer science, and typically a graduate degree in a quantitative field such as physics, engineering, or computer science. Familiarity with programming languages like Python, R, or C++, experience with high-performance computing, and tools such as MATLAB or scientific visualization software are vital. Excellent problem-solving abilities, collaboration, and effective communication skills make someone stand out in this position. These skills are crucial for developing models, analyzing complex data, and communicating scientific insights to interdisciplinary teams.

What are the career paths in computational science?

Computational scientists can pursue career paths in academia, industry, or government research, often specializing in areas like data analysis, modeling, or simulation. They may advance to senior scientist, research director, or interdisciplinary roles, and typically develop skills in programming, statistical analysis, and domain-specific knowledge. Certifications in programming languages or data management can enhance career progression.

What are the most commonly searched types of Computational Scientist jobs in Indiana?

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Computational Scientist jobs near you
Infographic showing various Computational Scientist job openings in Indiana as of August 2026, with employment types broken down into 1% Internship, 1% As Needed, 80% Full Time, 14% Part Time, and 4% Contract. Highlights an 84% Physical, 3% Hybrid, and 13% Remote job distribution, with an average salary of $105,950 per year, or $50.9 per hour.

Computational Chemistry/Toxicology Scientist

Zionsville, IN • On-site

Vish Consulting Services Inc
Recruiting and Staffing Services • 51 - 200 employees
Learn more about Vish Consulting Services Incexternal

Contractor

Re-posted 2 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