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Computational Chemistry Software Developer Jobs in Indiana

Varsity Tutors

Physical Chemistry Tutor

Fort Wayne, IN · Remote

$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

$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

$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:

Align Technology, Inc.

$116K - $153K/yr

The stack is React, Three.js, and WebGL on the front end, with a C++ computational engine on AWS at ... software engineering experience with a strong frontend focus. * Hands-on experience with 3D web ...

Danaher

Software Engineer Internships

Hammond, IN

Students graduating in 2025 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Danaher

Software Engineer Internships

Evansville, IN

Students graduating in 2025 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Danaher

Software Engineer Internships

Fort Wayne, IN

Students graduating in 2025 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Danaher

Software Engineer Internships

South Bend, IN

Students graduating in 2025 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Danaher

Software Engineer Internships

Gary, IN

Students graduating in 2025 or later with a Bachelor's degree in Computer Science, Software Engineering, Biomedical Engineering (with computational focus), or related field * Preference for students ...

Align Technology, Inc.

$195K/yr

As a Senior Software Research Engineer, you will work at the intersection of computer vision ... Leverage your knowledge of 3D computational geometry, computer vision and generative AI. What We ...

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Computational Chemistry Software Developer information

What is the difference between Computational Chemistry Software Developer vs Computational Chemist?

AspectComputational Chemistry Software DeveloperComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Computer Science, or related fieldBachelor's or Master's in Chemistry, Chemical Engineering, or related field
Work EnvironmentSoftware development teams, research labs, tech companiesResearch labs, academic institutions, pharmaceutical companies
Employer & Industry UsageTech firms, software companies, scientific research organizationsPharmaceuticals, academia, chemical industries
Common Search & ComparisonYesYes

While both roles involve chemistry and computational skills, Computational Chemistry Software Developers focus on creating and maintaining software tools used by chemists, whereas Computational Chemists primarily conduct research and simulations to understand chemical phenomena. The roles often overlap in skills but differ in daily tasks and focus areas.

What are Computational Chemistry Software Developers?

Computational Chemistry Software Developers are professionals who design, build, and maintain software tools used for modeling and simulating chemical systems. They combine expertise in chemistry, computer science, and mathematics to create programs that help researchers understand molecular structures, reactions, and properties. These developers work closely with scientists to implement algorithms, optimize code performance, and ensure software usability for various computational chemistry applications. Their work supports advancements in fields like drug discovery, materials science, and chemical engineering.

What are the key skills and qualifications needed to thrive as a Computational Chemistry Software Developer, and why are they important?

To thrive as a Computational Chemistry Software Developer, you need a strong background in computational chemistry, programming (particularly in languages like Python, C++, or Fortran), and a relevant degree in chemistry, physics, or computer science. Familiarity with molecular modeling packages, high-performance computing environments, and version control systems such as Git is typically required. Critical thinking, teamwork, and effective communication are crucial soft skills for collaborating with interdisciplinary teams and translating scientific requirements into robust software solutions. These skills and qualifications are vital for developing reliable, efficient software tools that advance chemical research and innovation.

What are some common challenges faced by Computational Chemistry Software Developers when integrating new algorithms into existing software platforms?

Computational Chemistry Software Developers often encounter challenges when integrating new algorithms, such as ensuring compatibility with legacy code, maintaining software performance, and validating scientific accuracy. Balancing the need for cutting-edge features with stability and user-friendliness can be complex, especially in collaborative, multidisciplinary teams. Regular communication with chemists and end-users is crucial to understand requirements and to troubleshoot issues that may arise during implementation.
What are popular job titles related to Computational Chemistry Software Developer jobs in Indiana? For Computational Chemistry Software Developer jobs in Indiana, the most frequently searched job titles are:
What job categories do people searching Computational Chemistry Software Developer jobs in Indiana look for? The top searched job categories for Computational Chemistry Software Developer jobs in Indiana are:
What cities in Indiana are hiring for Computational Chemistry Software Developer jobs? Cities in Indiana with the most Computational Chemistry Software Developer job openings:
Computational Chemistry Software Developer jobs near you
Infographic showing various Computational Chemistry Software Developer job openings in Indiana as of June 2026, with employment types broken down into 86% Full Time, and 14% Contract. Highlights an 100% In-person job distribution.
Computational Chemistry/Toxicology Scientist

Computational Chemistry/Toxicology Scientist

Vish Consulting Services Inc

Zionsville, IN • On-site

Contractor

Posted 14 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