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Machine Learning Computational Chemistry Jobs in Indiana

Align Technology, Inc.

$195K/yr

Leverage your knowledge of 3D computational geometry, computer vision and generative AI. What We Expect From You Focus & expertise in 3D & 2D machine learning. Excellence in 3D geometry. Passion for ...

Indiana University

Postdoctoral Fellow, Biology

Bloomington, IN · On-site

$45.30K - $61.50K/yr

... machine learning approaches for spatial population genetics. Our research integrates custom neural ... D. in computational biology, bioinformatics, computer science, or a related field. Demonstrated ...

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Machine Learning Computational Chemistry information

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$23K

$107.3K

$198.3K

How much do machine learning computational chemistry jobs pay per year?

As of May 30, 2026, the average yearly pay for machine learning computational chemistry in Indiana is $107,307.00, according to ZipRecruiter salary data. Most workers in this role earn between $72,182.00 and $144,833.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a Machine Learning Computational Chemist, and why are they important?

To thrive as a Machine Learning Computational Chemist, you need a solid background in chemistry, mathematics, and computer science, typically supported by an advanced degree in computational chemistry, cheminformatics, or a related field. Proficiency with programming languages (such as Python), machine learning frameworks (like TensorFlow or PyTorch), and molecular modeling software is essential. Strong analytical thinking, problem-solving skills, and effective collaboration are key soft skills that help drive innovation and teamwork. These skills and qualifications are critical for developing accurate models, advancing research, and translating computational insights into real-world chemical solutions.

What are some common challenges faced by professionals working in Machine Learning Computational Chemistry roles?

One common challenge in Machine Learning Computational Chemistry roles is integrating large and often complex chemical datasets with appropriate machine learning models, which requires a solid understanding of both domains. Professionals may also encounter difficulties in ensuring that their models are both interpretable and generalizable to new data, as overfitting is a frequent issue. Additionally, collaboration with chemists and data scientists is essential, so clear communication across disciplines is key to success. Staying up to date with the latest developments in both computational chemistry and machine learning is crucial for ongoing professional growth.

What is machine learning computational chemistry?

Machine learning computational chemistry is a field that combines machine learning techniques with computational chemistry to accelerate the discovery and design of molecules and materials. By training algorithms on large datasets of chemical information, researchers can predict molecular properties, simulate chemical reactions, and optimize compounds more efficiently than traditional methods. This approach helps reduce the time and cost required for research in drug discovery, materials science, and related fields.

What is the difference between Machine Learning Computational Chemistry vs Computational Chemist?

AspectMachine Learning Computational ChemistryComputational Chemist
Required CredentialsAdvanced degrees in chemistry, computer science, or related fields; knowledge of machine learning and programmingDegree in chemistry, chemical engineering, or related fields; strong background in chemical theory and modeling
Work EnvironmentResearch labs, tech companies, academia; focus on algorithm development and data analysisLaboratories, research institutions, industry; focus on chemical modeling and simulation
Employer & Industry UsageTech firms, pharmaceutical companies, research institutions applying AI/ML techniquesPharmaceutical, chemical, and materials industries conducting chemical research and development

Machine Learning Computational Chemists specialize in applying machine learning algorithms to chemical data, enhancing predictive models and simulations. Computational Chemists focus on traditional chemical modeling and simulations using computational methods. Both roles require strong chemistry backgrounds, but Machine Learning Computational Chemists emphasize data science and AI skills, while Computational Chemists focus on chemical theory and modeling techniques.

What are popular job titles related to Machine Learning Computational Chemistry jobs in Indiana? For Machine Learning Computational Chemistry jobs in Indiana, the most frequently searched job titles are:
What job categories do people searching Machine Learning Computational Chemistry jobs in Indiana look for? The top searched job categories for Machine Learning Computational Chemistry jobs in Indiana are:
What cities in Indiana are hiring for Machine Learning Computational Chemistry jobs? Cities in Indiana with the most Machine Learning Computational Chemistry job openings:
Machine Learning Computational Chemistry jobs near you
Infographic showing various Machine Learning Computational Chemistry job openings in Indiana as of May 2026, with employment types broken down into 50% Full Time, and 50% Contract. Highlights an 100% In-person job distribution, with an average salary of $107,307 per year, or $51.6 per hour.
Lead, Workforce Intelligence

Lead, Workforce Intelligence

Salesforce, Inc.

Indianapolis, IN

Full-time

Medical, Dental, Vision, Life, Retirement

Posted 16 days ago

Salesforce rating

7.8

Company rating: 7.8 out of 10

Based on 48 frontline employees who took The Breakroom Quiz

98th of 183 rated software companies

Job description

To get the best candidate experience, please consider applying for a maximum of 3 roles within 12 months to ensure you are not duplicating efforts.

Job Category

User Experience

Job Details

About Salesforce

Salesforce is the #1 AI CRM, where humans with agents drive customer success together. Here, ambition meets action. Tech meets trust. And innovation isn't a buzzword - it's a way of life. The world of work as we know it is changing and we're looking for Trailblazers who are passionate about bettering business and the world through AI, driving innovation, and keeping Salesforce's core values at the heart of it all.

Ready to level-up your career at the company leading workforce transformation in the agentic era? You're in the right place! Agentforce is the future of AI, and you are the future of Salesforce.

Lead, Workforce Intelligence

Salesforce is seeking a Lead in Workforce Intelligence with a specialized focus on Machine Learning and Applied Research. In this role, you will drive the end-to-end lifecycle of workforce research - from problem formulation and experimental design to the delivery of high-fidelity predictive models. You will combine deep technical expertise in Machine Learning with a consulting mindset to help leaders decode complex workforce patterns and employee experiences. This is an individual contributor (IC) role; you will not have direct reports, but will be expected to lead through influence, technical expertise, and cross-functional collaboration.
You will be expected to drive impact through computational rigor and technical evangelism, transitioning ad-hoc research into scalable, reproducible, and automated tools that provide real-time guidance to the business.


Key Responsibilities

  • Strategic ML & Problem Formulation: Define ambiguous business challenges as rigorous research questions. Assess and prioritize new work for scope and urgency, managing stakeholder expectations and pivoting based on changing business needs.
  • Predictive & Causal Modeling: Conduct mid-to-high complexity data analyses, building robust Machine Learning models (predictive and descriptive) on structured and unstructured enterprise data. Lead the development of causal identification strategies to determine the effectiveness of talent initiatives.
  • Data Productization & Visualization: Drive the "productization" of data by architecting high-impact, self-service analytics tools. Ensure models and dashboards integrate seamlessly with existing business tools to provide actionable, real-time insights.
  • Evidence-Based Storytelling: Lead the strategic narrative on workforce data by translating complex ML outputs into clear, compelling narratives. Articulate findings clearly to inform specific stakeholder actions, demonstrating how data leads to concrete outcomes.
  • Innovation & Technical Evangelism: Remain at the forefront of emerging AI, Agents, and LLMs. Proactively champion their adoption and train others on new solutions to ensure they integrate into a human-centric talent model.
  • Cross-Functional Collaboration: Partner with cross-functional peers (e.g., Data Engineering, Finance, Business Partners) on projects involving people data or metrics, ensuring alignment and providing high-quality, accurate insights.

Preferred Qualifications

  • Education: Master's or PhD in a highly quantitative or computational research field (e.g., Computer Science, Data Science, I/O Psychology, Econometrics, or Statistics).
  • Experience: 5+ years of experience in data science, people analytics, or applied research, with a track record of delivering scientific insights to leadership (Director+).
  • Programming: Mastery of Python or R and SQL is required. Candidates must be proficient in performing data manipulation, statistical modeling, and automation within a code-based environment.
  • Data Visualization: Expert-level proficiency in Tableau; experience architecting visuals that simplify complex, heterogeneous enterprise data.
  • Machine Learning: Experience with ML frameworks (e.g., Scikit-learn, PyTorch, TensorFlow) and advanced techniques, including NLP, clustering, or LLM-driven labeling.
  • Methodological Rigor: Deep understanding of experimental design, causal inference, and computational statistics.
  • Communication: Exceptional skills in translating complex technical concepts for non-technical audiences and informing specific team or stakeholder actions.
  • Autonomy: Proven ability to operate with moderate autonomy, handling day-to-day projects independently while seeking guidance for high-level strategy and prioritization.

Unleash Your Potential

When you join Salesforce, you'll be limitless in all areas of your life. Our benefits and resources support you to find balance andbe your best, and our AI agents accelerate your impact so you cando your best. Together, we'll bring the power of Agentforce to organizations of all sizes and deliver amazing experiences that customers love. Apply today to not only shape the future - but to redefine what's possible - for yourself, for AI, and the world.

Accommodations

If you need a reasonable accommodation during the application or the recruiting process, please submit a request via this Accommodations Request Form.

Please note that Salesforce uses artificial intelligence (AI) tools to help our recruiters assess and evaluate candidates' resumes and qualifications throughout the recruiting process. Humans will always make any candidate selection and hiring decisions. Please see our Candidate Privacy Statement for more information about how we use your personal data and your rights, including with regard to use of AI tools and opt out options.

Posting Statement

Salesforce is an equal opportunity employer and maintains a policy of non-discrimination with all employees and applicants for employment. What does that mean exactly? It means that at Salesforce, we believe in equality for all. And we believe we can lead the path to equality in part by creating a workplace that's inclusive, and free from discrimination. Know your rights: workplace discrimination is illegal. Any employee or potential employee will be assessed on the basis of merit, competence and qualifications - without regard to race, religion, color, national origin, sex, sexual orientation, gender expression or identity, transgender status, age, disability, veteran or marital status, political viewpoint, or other classifications protected by law. This policy applies to current and prospective employees, no matter where they are in their Salesforce employment journey. It also applies to recruiting, hiring, job assignment, compensation, promotion, benefits, training, assessment of job performance, discipline, termination, and everything in between. Recruiting, hiring, and promotion decisions at Salesforce are fair and based on merit. The same goes for compensation, benefits, promotions, transfers, reduction in workforce, recall, training, and education.

In the United States, compensation offered will be determined by factors such as location, job level, job-related knowledge, skills, and experience. Certain roles may be eligible for incentive compensation, equity, and benefits. Salesforce offers a variety of benefits to help you live well including: time off programs, medical, dental, vision, mental health support, paid parental leave, life and disability insurance, 401(k), and an employee stock purchasing program. More details about company benefits can be found at the following link: https://www.salesforcebenefits.com.At Salesforce, we believe in equitable compensation practices that reflect the dynamic nature of labor markets across various regions. The typical base salary range for this position is $148,500 - $223,900 annually. The range represents base salary only, and does not include company bonus, incentive for sales roles, equity or benefits, as applicable.

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