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Machine Learning Computational Chemistry Jobs in Atlanta, GA

Novelis Global R&T

Modeling Scientist

Kennesaw, GA · On-site

... chemistry - thermomechanical processing - microstructure - property - product performance ... Design, develop, and validate statistical and machine learning models for prediction, optimization ...

Novelis

Modeling Scientist

Kennesaw, GA · On-site

... chemistry - thermomechanical processing - microstructure - property - product performance ... Design, develop, and validate statistical and machine learning models for prediction, optimization ...

Novelis Global R&T

Modeling Scientist

Kennesaw, GA · On-site

... chemistry - thermomechanical processing - microstructure - property - product performance ... Design, develop, and validate statistical and machine learning models for prediction, optimization ...

micro1 AI

AI Trainer - Microbiology Expert

Atlanta, GA · Remote

$70 - $90/hr

Bachelor's degree or higher in Biology, Microbiology, Chemistry, or a related field. * Extensive ... Experience with AI, machine learning, or annotation projects related to biology or microbiology.

Novelis

Lead Modeling Scientist

Kennesaw, GA · On-site

Machine Learning for materials: Property prediction, Process window optimization, Defect ... metallurgists chemists scientists technologists and technicians. The facility includes ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Atlanta, GA

Machine Learning Computational Chemistry information

See Atlanta, GA salary details

$24.3K

$113.3K

$209.4K

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

As of Aug 16, 2026, the average yearly pay for machine learning computational chemistry in Atlanta, GA is $113,322.00, according to ZipRecruiter salary data. Most workers in this role earn between $76,228.00 and $152,952.00 per year, depending on experience, location, and employer.

Is computational chemistry in demand?

Computational chemistry is in high demand within industries such as pharmaceuticals, materials science, and chemical research, where it supports drug discovery and molecular modeling. Professionals with skills in machine learning, programming, and chemistry are increasingly sought after to develop advanced simulation tools and analyze complex data sets.

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 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 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 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 popular job titles related to Machine Learning Computational Chemistry jobs in Atlanta, GA?

For Machine Learning Computational Chemistry jobs in Atlanta, GA, the most frequently searched job titles are:

What job categories do people searching Machine Learning Computational Chemistry jobs in Atlanta, GA look for?

The top searched job categories for Machine Learning Computational Chemistry jobs in Atlanta, GA are:

What cities near Atlanta, GA are hiring for Machine Learning Computational Chemistry jobs?

Cities near Atlanta, GA with the most Machine Learning Computational Chemistry job openings:

Machine Learning Computational Chemistry jobs near you

Modeling Scientist

Novelis Global R&T

Kennesaw, GA • On-site

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 2 days ago

Job description

Position Overview
Novelis is one of the world leaders in aluminum recycling and rolling and a leading sustainable aluminum solutions provider. Driven by our purpose of shaping a sustainable world together, we work alongside our customers to provide innovative solutions to the aerospace, automotive, beverage packaging and specialty markets. Headquartered in Atlanta, Georgia, Novelis has approximately 13,000 employees in 32 operating facilities on 4 continents.
Responsibilities & Qualifications
The Modeling team, located in Kennesaw, GA is seeking a Modeling Scientist. This role is responsible for the development and deployment of multi-physics, multiscale materials modeling and physics guided artificial intelligence modeling capability within Novelis to accelerate discovery and development of sustainable products and processes.
A major focus is bridging microstructural length scales, as applied to Novelis' products (aluminum sheet and plate) and its manufacturing processes (aluminum casting, rolling, heat treatments etc.), and development of a deeper understanding of alloy chemistry - thermomechanical processing - microstructure - property - product performance relationships using physics-based approaches like large scale crystal plasticity finite element modeling and data-driven approaches like machine learning and high-throughput computations.
Working closely with the metallurgists, product, process, and application engineers at the Customer Solution Centers, the successful applicant will apply their modeling expertise to a variety of technical challenges related to industrial sheet metal production and the manufacturing of complex products. The successful applicant will have the ability to gather critical materials inputs for their models as well as to test their ideas under close to real-world conditions by employing Novelis' substantial laboratory testing and characterization facilities and pilot-scale equipment before scale-up to Novelis plants or customer operations.
There will be opportunity to travel, to collaborate with our extensive network of academic and industrial partners, colleagues in Novelis' worldwide plants, regional research and technology centers and Customer Solution Centers around the globe and to directly support our customers. The role will involve working in and leading multi-disciplinary teams to combine modeling with experimental work for maximum impact on the speed and depth of our materials research. The role provides significant potential for technical growth and a real chance to impact the future success of Novelis' global businesses.
Responsibilities
  • Act as company-wide subject matter expert for multiscale, multiphysics modeling and application of machine learning to materials modeling in support of global R&D projects.
  • Establish advanced materials and data driven models to develop capabilities that will guide and accelerate development of transformational and sustainable products and processes.
  • Design, develop, and validate statistical and machine learning models for prediction, optimization, and simulation
  • Build end-to-end ML workflows and pipelines, including data ingestion, feature engineering, training, evaluation, versioning, and deployment
  • Define and lead modeling driven projects to address critical product and process development challenges.
  • Partner with wide range of internal specialists to develop solutions e.g., with product metallurgists, rolling process engineers, formability, surface, corrosion and computational material scientists.
  • Establish and lead supporting partnerships with universities, national labs and other external organizations.
  • Support wider adoption and application of both physics and data driven modeling tools amongst other specialists.
  • Collaborate with colleagues to develop associated experimental programs that provide supporting data or understanding critical to model development.
Minimum qualifications
  • PhD in metallurgy, metallurgical engineering, materials science/engineering or mechanical engineering.
  • Minimum experience of 2+ years in multiscale, multiphysics modeling and application of machine learning after PhD completion gained in industrial R&D or in partnership with industry.
  • Candidates will have experience in the use of LS-DYNA, Abaqus, ANSYS, COMSOL or other well-known commercial FE software, as well as in some of the following:
    • Large scale crystal plasticity modeling, e.g., CPFEM, DAMASK, VPSC.
    • Multiphysics modeling e.g., fully and sequentially coupled thermo - electro - mechanical - magnetic analysis and computational fluid dynamics.
    • FE Pre/post processors, user subroutines.
  • Strong foundation in statistical modeling, machine learning algorithms, and model evaluation techniques and application to materials modeling.
  • Strong programming skills in Python; experience with SQL, data-intensive systems, and cloud systems (e.g. Microsoft Azure)
  • Demonstrated experience building ML workflows, pipelines and web applications or interactive dashboards
  • Technical leadership experience in R&D with demonstration of good project management skills.
  • Broad science and engineering background and ability to connect knowledge across multiple disciplines.
  • Capability to thrive in a team environment, communicate well, and to engage and influence wide variety of stakeholders throughout the organization.
  • International outlook and desire to travel to other Novelis or customer locations.
Preferred qualifications
  • Applicants are particularly sought who combine strong modeling capabilities with specialized capabilities in the following areas:
    • Mechanical behavior of metals, in particular forming, texture evolution, damage and fracture of aluminum alloys;
    • Metallurgy of aluminum alloys;
    • Use of experiments to validate models and analysis of the data;
    • Advanced models for the mechanical behavior of metallic materials and their use in FE simulations.
  • Direct or collaborative experience in experimental validation of computational models
  • Experience designing or implementing agnetic AI systems

Please note that we are unable to provide visa sponsorship for this position. Candidates must be legally authorized to work in the United States without the need for current or future sponsorship.
What We Offer:
Novelis benefits say a lot about how we care for each other. Our employees and their families have many different needs. As a result, our benefits offer choices on many levels and are high in quality, competitive in the marketplace, and affordable. These are a few of the benefits we offer to support you and your family's well-being:
  • Medical, dental and vision insurance
  • Health savings accounts - Company Funded Health Savings Account (HSA) and Health Reimbursement Account (HRA)
  • Flexible Spending Account (FSA)
  • Company-paid basic life insurance and Additional voluntary life coverage
  • Paid vacation and competitive personal time off
  • 401(k) savings plan with company match
  • Retiree Medical Plans - medical and prescription drug coverage through Novelis sponsored Retiree Health Access
  • Retirement Savings Account
  • Employee assistance programs - available 24/7 to you and your family
  • Wellness and Work Life Support - career development and educational assistance

#LI-NT
Location Profile
Novelis' Global Research and Technology Center located in Kennesaw Georgia within the greater Atlanta metropolitan area is a cutting-edge full-service research and technology hub that employs approximately 200 people including world-class engineers metallurgists chemists scientists technologists and technicians. The facility includes state-of-the-art lab equipment and a diverse mix of product pilot lines that bring innovative solutions to customers in the automotive beverage can and specialty markets. Kennesaw provides a diverse and family-friendly place to live with countless museums cultural opportunities and educational institutions. Novelis is committed to the Kennesaw community and supports a number of local charitable organizations including Habitat for Humanity as well as FIRST Robotics aimed at encouraging young people to pursue the Science Technology Engineering and Mathematics (STEM) fields in order to spur the next generation of scientists and innovators.
Novelis recognizes its talented and diverse workforce as a key competitive advantage. Novelis provides equal employment opportunities to all employees and applicants. All terms and conditions of employment at Novelis including recruiting hiring placement promotion termination layoffs recalls transfers leaves of absence compensation and training are without regard to race color religion age sex national origin disability status genetics protected veteran status sexual orientation gender identity or expression or any other characteristic protected by federal provincial or local laws.
Disclaimer
We encourage all potential candidates to follow the protocols below and to be diligent when sharing any personal information:
1. Check the job posting is live and valid via our careers page: Careers - Novelis
2. Verify any communication with us by contacting our talent team at Careers - Novelis

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