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Machine Learning Computational Chemistry Jobs in Griffith, IN

Varsity Tutors

Physical Chemistry Tutor

Oak Lawn, IL · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Chicago, IL · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Varsity Tutors

Physical Chemistry Tutor

Valparaiso, IN · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Adapts instruction using computational chemistry software, worked derivations, and visual quantum ...

Biohub

Computational Biologist

Chicago, IL

$130K - $163K/yr

Integrate proteomics, metabolomics, and related datasets, and explore machine learning or transfer ... PhD in bioinformatics, computer science, statistics, computational biology, biomedical engineering ...

Biohub

Computational Biologist

Chicago, IL · On-site

$130K - $163K/yr

Integrate proteomics, metabolomics, and related datasets, and explore machine learning or transfer ... PhD in bioinformatics, computer science, statistics, computational biology, biomedical engineering ...

Tempus

Senior Computational Biologist I

Chicago, IL · On-site

$115K - $175K/yr

Computational skills using R and SQL, especially relevant statistical tools and packages ... Proficiency in machine learning techniques, with a nuanced understanding of the strengths and ...

The University of Chicago

Staff Scientist

Chicago, IL · On-site +1

Develop and apply computational and machine learning methods to model host immune responses to microbial communities, integrating microbiome and protein-level analyses. * Pursue independent lines of ...

Varsity Tutors

High School Chemistry Tutor

Chicago, IL · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

Varsity Tutors

High School Chemistry Tutor

Oak Lawn, IL · Remote

$18 - $40/hr

About the Job The Varsity Tutors Live Learning Platform has thousands of students looking for ... Emphasizes building chemical intuition alongside computational skills and connects chemistry to ...

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All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Griffith, IN

Machine Learning Computational Chemistry information

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 Griffith, IN? For Machine Learning Computational Chemistry jobs in Griffith, IN, the most frequently searched job titles are:
What cities near Griffith, IN are hiring for Machine Learning Computational Chemistry jobs? Cities near Griffith, IN with the most Machine Learning Computational Chemistry job openings:
Machine Learning Computational Chemistry jobs near you

Quantum Solutions Engineer - Scientific Machine Learning M/W

Pasqal

Chicago, IL • On-site

Full-time

Posted 6 days ago

Job description

PASQAL designs and develops Quantum Processing Units and dedicated software tools. These innovative processors address applications which are out of the reach of the most powerful existing supercomputers, encompassing real-world challenges as well as fundamental science. As they are very low energy intensive, they will significantly contribute to reduce the carbon footprint of the computing industry.
PASQAL has partnerships with key users in the fields of energy, IT, finance, drug and chemical design, automotive. The maturity and potential of our technology and the quality of our scientific team has been rewarded several times at French, European and global levels.
Description
We are looking for a Quantum Solutions Engineer to join our Quantum Applications department and build client-facing solutions based on PASQAL's quantum algorithm portfolio.
This application-driven engineering role focuses on adapting, integrating, and validating quantum and quantum-enhanced machine learning methods for real-world partner and client use-cases, with a strong focus on molecular and chemical applications.
The goal is to turn PASQAL's existing methods into reliable client deliverables by combining scientific machine learning, Graph Machine Learning, and analog quantum computing.
Contributions to internal method improvement are welcome when they directly support project outcomes.
You will join as a Scientific Machine Learning Engineer specializing in chemistry applications, working at the interface between graph machine learning, quantum algorithms, and industrial use cases.
With strong engineering skills and an interest in quantum computing (physics background is a plus), you will:
• Adapt and implement PASQAL's existing quantum and quantum-enhanced Graph ML algorithms for client datasets, scientific constraints, and performance targets.
• Translate scientific and chemical use cases into well-defined machine learning tasks, such as molecular property prediction, classification, ranking, or candidate screening.
• Select and implement suitable representations for molecules and chemical systems, including physicochemical descriptors, fingerprints, molecular graphs, and quantum feature representations.
• Integrate ML pipelines with quantum execution workflows, emulation and simulation platforms, PASQAL QPUs, and internal tooling.
• Collaborate closely with internal R&D teams to transfer quantum methods from research to application, clarify their assumptions and limitations, and select the most appropriate approach from PASQAL's portfolio.
• Work closely with chemistry experts from clients and partners to understand the scientific meaning, quality, and limitations of molecular and experimental data.
• Produce maintainable code, technical documentation, benchmark reports, and handover material so delivered solutions can be reproduced, reused, and supported.
• Maintain an active scientific and technological watch in Quantum Machine Learning, Graph Machine Learning, and molecular machine learning.
This list is non exhaustive.
About you
  • Master's degree or PhD in Machine Learning, Computational Chemistry or Quantum Physics
  • 2+ years of experience in a similar role
  • Strong ML engineering background, including model training and evaluation, classical baselines, metrics, and reproducible experimentation.
  • Hands-on experience with graph-structured data and Graph Machine Learning, such as graph kernels, Graph Neural Networks, or graph representations.
  • Familiarity with quantum computing or quantum mechanics concepts and constraints, including the differences between classical simulation, emulation, and hardware execution.
  • Working knowledge of fundamental chemistry concepts and familiarity with molecular representations such as descriptors, fingerprints, molecular graphs, or SMILES.
  • Strong interest in applying quantum computing to practical machine learning and scientific problems.
  • Experience working with molecular, chemical, materials, or other scientific data.
  • Ability to build end-to-end ML pipelines (pre/post-processing, integration with existing tools/platforms).

  • Physics background (quantum/atomic/optics) is a plus.
  • Delivery mindset and ownership (client-facing deliverables, pragmatism, trade-offs).
  • Strong communication and collaboration with internal R&D, hardware, and platform teams.

Right to work in USA without sponsorship is preferred.
What we offer
  • Flexible schedules to support work/life balance
  • A dynamic, close-knit, collaborative, and diverse international team for co-workers
  • An impactful role in a growing scale-up that is leading in the Neutral Atom Quantum Computing space
  • Competitive benefit packages
  • Lots of time off to enjoy the things you love outside of work
  • Free time to learn and attend conferences/meetups
  • Employment Terms : Full time, Direct hire, Hybrid

Recruitment process
  • An interview with our talent acquisition team via Teams Video meeting
  • A 1 hour video interview with hiring manager via Teams Video meeting
  • For technical roles: A technical Interview round via Teams Video with the hiring manager
  • Final Interview
  • An offer !

PASQAL is an equal opportunity employer. We are committed to creating a diverse and inclusive workplace, as inclusion and diversity are essential to achieving our mission. We encourage applications from all qualified candidates, regardless of gender, music preference, ethnicity, age, religion or sexual orientation.
Department Software Role Quantum Application Locations Chicago Remote status Hybrid Employment type Full-time Seniority Senior

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