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Associate Machine Learning Chemistry Jobs in Pittsburgh, PA

... Engineering, Chemistry, Physics, or related field. * 5+ years of experience delivering AI/ML solutions in production environments * Strong expertise in: * Machine learning and deep learning

Associate Data Scientist

Pittsburgh, PA ยท On-site

$57K - $57K/yr

Data Scientists at the SEI use advanced statistics, data analytics, machine learning, and artificial intelligence to help our government and industry clients research and solve cybersecurity ...

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Associate Machine Learning Chemistry information

See Pittsburgh, PA salary details

$30.6K

$129.2K

$305.3K

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

As of Aug 20, 2026, the average yearly pay for associate machine learning chemistry in Pittsburgh, PA is $129,179.00, according to ZipRecruiter salary data. Most workers in this role earn between $44,700.00 and $196,100.00 per year, depending on experience, location, and employer.

What is an associate machine learning chemistry?

Associate Machine Learning Chemists are professionals who combine expertise in chemistry with skills in machine learning to analyze chemical data, develop predictive models, and accelerate scientific discovery. They often work on tasks like predicting molecular properties, optimizing chemical reactions, and supporting drug discovery efforts using computational tools. Typically, these roles require a strong foundation in chemistry, programming experience (often in Python), and familiarity with machine learning libraries. Associate positions are generally entry-level or early-career roles, providing support to senior scientists and data scientists in research and development teams.

How does an associate machine learning chemistry professional typically collaborate with research scientists and engineers?

As an Associate Machine Learning Chemistry professional, you will frequently work alongside research scientists and chemical engineers to develop predictive models and analyze experimental data. Collaboration involves translating chemical problems into machine learning tasks, sharing insights from model results, and participating in interdisciplinary meetings to refine research objectives. Effective communication and teamwork are essential, as you may be required to explain machine learning concepts to non-technical colleagues and integrate their domain expertise into your models. This collaborative environment fosters both scientific discovery and professional growth.

What are the key skills and qualifications needed to thrive as an associate machine learning chemistry, and why are they important?

To thrive as an Associate Machine Learning Chemistry professional, you need a solid background in chemistry, data analysis, and machine learning, typically supported by a relevant degree such as chemistry, computer science, or a related field. Experience with programming languages like Python, machine learning libraries (e.g., TensorFlow, scikit-learn), and cheminformatics software is highly valued. Strong problem-solving skills, attention to detail, and the ability to communicate complex concepts clearly are crucial soft skills. These competencies enable effective collaboration on interdisciplinary teams and the development of innovative solutions in computational chemistry research.

What is the difference between Associate Machine Learning Chemistry vs Associate Data Scientist?

AspectAssociate Machine Learning ChemistryAssociate Data Scientist
Required CredentialsBachelor's or Master's in Chemistry, Data Science, or related fields; familiarity with ML frameworksBachelor's or Master's in Data Science, Statistics, Computer Science; programming skills in Python/R
Work EnvironmentResearch labs, pharmaceutical or chemical companies, biotech firmsTech companies, finance, healthcare, consulting firms
Employer & Industry UsageUsed in industries applying ML to chemical data, drug discovery, materials scienceApplied across industries analyzing large datasets, predictive modeling

Associate Machine Learning Chemistry focuses on applying machine learning techniques specifically to chemical and scientific data, often within research or pharmaceutical settings. In contrast, Associate Data Scientist has a broader scope, working with various data types across multiple industries. Both roles require strong analytical skills and familiarity with ML tools, but their industry focus and data types differ.

What cities near Pittsburgh, PA are hiring for Associate Machine Learning Chemistry jobs?

Cities near Pittsburgh, PA with the most Associate Machine Learning Chemistry job openings:

Infographic showing various Associate Machine Learning Chemistry job openings in Pittsburgh, PA as of August 2026, with employment types broken down into 1% As Needed, 75% Full Time, 22% Part Time, and 2% Contract. Highlights an 88% Physical, 2% Hybrid, and 10% Remote job distribution, with an average salary of $129,179 per year, or $62.1 per hour.

Postdoctoral Research Associate - Isayev Lab

Carnegie Mellon University

Pittsburgh, PA โ€ข On-site

Full-time

Re-posted 22 days ago


Job description

Description
The Isayev Lab at Carnegie Mellon University invites applications for a postdoctoral researcher to lead projects at the interface of computational chemistry, machine learning, reaction mechanism elucidation, and automated molecular discovery. The position is ideal for a candidate who wants to turn deep mechanistic understanding into predictive models and closed-loop discovery workflows.
Our lab develops and applies machine learning methods for computational chemistry, materials science, and molecular discovery, including transferable neural network potentials, generative molecular design, and experiment-automation workflows. The postdoc will work in a collaborative CMU environment spanning computational chemistry, AI, automated experimentation, polymer chemistry, and catalysis.
Research directions may include:
Developing automated DFT / ML workflows for mechanistic studies of photoredox, organometallic, and radical catalytic reactions.
Building predictive models that connect quantum-chemical descriptors, catalyst structure, substrate scope, selectivity, and reaction performance.
Applying AIMNet2 and related ML/QM methods to accelerate conformer search, reaction-path exploration, catalyst screening, and high-throughput mechanistic modeling.
Designing closed-loop computational-experimental campaigns for transition metal catalysis, polymer synthesis, and related catalytic transformations.
Creating reusable, open, well-documented software workflows for reaction data generation, curation, featurization, and model deployment.
Collaborating with experimental groups at CMU and external partners to convert mechanistic hypotheses into experimentally testable predictions.
Qualifications
Desired background:
Ph.D. in chemistry, chemical engineering, materials science, or a related field.
Strong experience in computational reaction mechanisms, especially DFT studies of organic, organometallic, photoredox, radical, or homogeneous catalytic systems.
Fluency with Python and modern scientific computing workflows; experience with Git, HPC clusters, SLURM, Gaussian, ORCA, Q-Chem, xTB, RDKit, ASE, or related tools is highly valued.
Interest in machine learning, statistical modeling, active learning, descriptor development, or data-driven reaction prediction.
Ability to work closely with experimental collaborators and communicate mechanistic insight clearly.
Application Instructions
Applications, including a cover letter and a curriculum vitae indicating your interest and relevant training should be submitted electronically via Interfolio.