ZipRecruiter

Log In

1

Machine Learning Computational Chemistry Jobs in Clark, NJ

PhysicsX

Machine Learning Engineer

New York, NY · On-site

Experience in ML/Computational statistics/Modelling use-cases in industrial settings (for example ... Building machine learning models and pipelines in Python, using common libraries and frameworks (e ...

previous pagenext page

Showing results 21-40

All JobsMachine Learning Computational Chemistry JobsMachine Learning Computational Chemistry Jobs in Clark, NJ

Machine Learning Computational Chemistry information

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 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 Clark, NJ?

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

What cities near Clark, NJ are hiring for Machine Learning Computational Chemistry jobs?

Cities near Clark, NJ 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 Clark, NJ as of August 2026, with employment types broken down into 1% As Needed, 72% Full Time, 23% Part Time, 1% Temporary, and 3% Contract. Highlights an 87% Physical, 3% Hybrid, and 10% Remote job distribution.

Machine Learning Specialist

Applied Physics

New York, NY • On-site

Full-time

Re-posted 20 days ago

Job description

Applied Physics is seeking a highly motivated and skilled professional to join our Machine Learning team at the Advanced Propulsion Laboratory at Applied Physics. In this role, you will have the opportunity to work on cutting-edge research in new and emerging fields.
Responsibilities:
  • Conduct research on state-of-the-art Machine Learning algorithms relevant to the problem being addressed.
  • Implement, train, and validate proposed algorithms for specific problem domains.
  • Contribute to the integration of algorithms within larger programmatic systems that require these capabilities.
  • Collaborate with others in a multidisciplinary team environment to accomplish research goals.
  • Pursue both independent and collaborative research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.
  • Publish research results in peer-reviewed scientific journals and present results at conferences, seminars, and meetings.
  • Travel as required to coordinate research with collaborators and visit field sites.

Requirements
  • PhD in Computer Science, Computational Engineering, Applied Statistics, Applied Mathematics, or another technical discipline providing an underlying skillset in data analysis and Machine Learning techniques.
  • Fundamental knowledge of and/or experience developing and applying algorithms in one or more of the following Machine Learning areas/tasks: deep learning, representation learning, zero- or few-shot learning, active learning, reinforcement learning, natural language processing, ensemble methods, statistical modeling and inference (e.g., probabilistic graphical models, Gaussian processes, or nonparametric Bayesian methods).
  • Experience in the broad application of one or more higher-level programming languages such as Python, Java, Scala, or C/C++.
  • Experience with one or more deep learning libraries such as PyTorch, TensorFlow, Keras, or Caffe.
  • Proven ability to undertake original research and communicate findings in peer-reviewed publications.
  • Experience working with a multidisciplinary team of scientists, engineers, and project managers to develop and apply these capabilities to inform engineering decisions.
  • Proficient verbal and written communication skills to collaborate effectively in a team environment and present and explain technical information.

Benefits
We offer a competitive salary and benefits package, flexible work hours, and opportunities for growth and career development. Join our dynamic and passionate team and help us make a positive impact on the world.
If you are a talented, motivated, and empathetic individual who shares our passion for making a difference, we encourage you to apply for this exciting opportunity to work with our team at Applied Physics. Applied Physics is an equal opportunity employer.

Apply