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Computational Chemistry Software Developer Jobs in Indiana

Technotopia Solutions LLC

QA Analyst

Indianapolis, IN

$25.34 - $29.52/hr

... developers and chemists to ensure that all quality assurance requirements are captured in the ... software economically and efficiently. Evaluates program output and reports for accuracy, and ...

Amgen

Software Engineering,Computer Science, Computational Biology * A strong background inworkflow planning * Experience building automations for workflow tracking tools like Jira * FamiliaritywithUNIX ...

Evonik

Senior Process Safety Engineer

Lafayette, IN · Hybrid

Conduct process safety calculations using specialized software. * Collaborate on developing process ... Enhance competencies of site engineers and chemists in process safety. * Stay updated on process ...

InstantServe LLC

IN-IDOH QA Analyst

Indianapolis, IN · On-site

Works with developers and chemists to ensure that all quality assurance requirements are captured ... software economically and efficiently. Evaluates program output and reports for accuracy, and ...

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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.
Pre-Doctoral Research Associate - Technical

Pre-Doctoral Research Associate - Technical

University of Notre Dame

Notre Dame, IN • On-site

Full-time

Posted 22 days ago

University Of Notre Dame rating

7.3

Company rating: 7.3 out of 10

Based on 41 frontline employees who took The Breakroom Quiz

309th of 537 rated colleges and universities

Job description

Job Summary:
The University of Notre Dame is seeking a Behavioral Research Associate, informally known as a Pre-Doctoral Research Associate, to join their Research Support team at the Mendoza College of Business. This role involves providing technical support for behavioral research, programming experiments, and managing data workflows while gaining exposure to empirical research methods.
Responsibilities:
• Providing direct technical support to the Behavioral Data Scientist on active research projects, data pipelines, and computational workflows
• Programming and deploying behavioral experiments and surveys using platforms such as Qualtrics, jsPsych, and related tools
• Serving as the in-lab technical resource during in-person study sessions, including A/V, software, and peripheral management
• Building and maintaining data pipelines, automation workflows, and reproducible analysis scripts (Python, R, or similar)
• Supporting the integration of LLMs and advanced computational tools into research workflows
• Managing data storage, compute infrastructure, and backup protocols for active research projects
• Assisting with randomization, logic implementation, and technical troubleshooting across studies
• Contributing to documentation and code standards to support continuity and knowledge transfer across the team
Qualifications:
Required:
• Bachelor's or Master's degree in Computer Science, Data Science, Psychology, Statistics, Economics, or a related field, completed or near completion at the time of appointment.
• Proficiency in at least one programming language commonly used in behavioral research (e.g., Python, R, JavaScript).
• Experience or strong interest in experimental design, behavioral research methods, or data analysis.
• Ability to manage and process datasets, including data cleaning, integration, and feature engineering.
• Strong attention to detail, intellectual curiosity, and commitment to research rigor.
• Excellent communication and collaboration skills, with the ability to work effectively with faculty and interdisciplinary research teams.
Preferred:
• Familiarity with survey or experiment programming platforms (e.g., Qualtrics, jsPsych) is highly desirable.
• Interest in pursuing doctoral studies in a related field is preferred.
Company:
In addition to having a successful career as a researcher, school psychologist, and academic professional, Founded in 1842, the company is headquartered in Notre Dame, USA, with a team of 5001-10000 employees. The company is currently Late Stage.

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