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Machine Learning Computational Chemistry Jobs in Delaware

Agilent

R&D Engineer

Wilmington, DE · On-site

$116K - $182K/yr

Most projects require mechanical, electrical and firmware engineers, as well as chemists and ... Material processing techniques such as precision machining, sheet metal, casting/molding, ceramics ...

Agilent

R&D Engineer

Wilmington, DE

$116K - $182K/yr

Most projects require mechanical, electrical and firmware engineers, as well as chemists and ... Material processing techniques such as precision machining, sheet metal, casting/molding, ceramics ...

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Machine Learning Computational Chemistry information

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 Delaware? For Machine Learning Computational Chemistry jobs in Delaware, the most frequently searched job titles are:
What job categories do people searching Machine Learning Computational Chemistry jobs in Delaware look for? The top searched job categories for Machine Learning Computational Chemistry jobs in Delaware are:
What cities in Delaware are hiring for Machine Learning Computational Chemistry jobs? Cities in Delaware with the most Machine Learning Computational Chemistry job openings:
Machine Learning Computational Chemistry jobs near you
R&D Engineer

R&D Engineer

Agilent

Wilmington, DE • On-site

$116K - $182K/yr

Full-time

Posted yesterday

Agilent Technologies rating

8.1

Company rating: 8.1 out of 10

Based on 38 frontline employees who took The Breakroom Quiz

109th of 518 rated manufacturers

Job description

Job Description
Agilent inspires and supports discoveries that advance the quality of life. We provide life science, diagnostic and applied market laboratories worldwide with instruments, services, consumables, applications and expertise. Agilent enables customers to gain the answers and insights they seek -- so they can do what they do best: improve the world around us. Information about Agilent is available at www.agilent.com.
This R&D Hardware Engineer (Mechanical Engineer) position is at our Wilmington, Delaware site. As a Mechanical Engineer in our R&D group, you'll be part of a team that analyzes, designs, prototypes and tests new products for Agilent's Gas Chromatograph, Automated Sample Handling and Automated Sample Preparation products. Most projects require mechanical, electrical and firmware engineers, as well as chemists and software engineers, to create a complete system. As part of those projects, you will also work with our marketing, manufacturing, purchasing, and service organizations to transform your designs into shipping products.
Mechanical Engineers at our site work on designs related to the control of motion, flow and heated zones, and intelligent systems. One example would be an unattended robotic system that uses an embedded processor to transport sample vials to an automated liquid sampling device.
Qualifications
  • Bachelor's or Master's Degree or equivalent
  • 4+ years relevant experience for entry into this level
    The ability to work in an interdisciplinary, cross-functional environment
  • We're also looking for someone with demonstrated skill and interest in two or more of the following areas:
    • 3D solid modeling and drafting in CAD software (Siemens NX (preferred), Solidworks, Inventor, Creo, others)
    • Familiarity with PDM/PLC/ERP systems such as TeamCenter, Agile, and SAP
    • Joining techniques such as bonding, brazing, welding
    • Post-fabrication treatment techniques such as cleaning, coating, and plating
    • Sealing technologies (high pressure and vacuum)
    • Material processing techniques such as precision machining, sheet metal, casting/molding, ceramics, cleaning, and other fabrication techniques
    • Properties of materials such as ferrous and nonferrous metal alloys and ceramics

Desired Skills:
Skill or experience in the following areas would be beneficial but are not required. This list also gives an idea of the tools we use in our work:
  • Mechanical design
  • Design of components utilized in heat transfer and thermal-fluid systems
  • Evaluation of tolerance stack ups
  • Simulation tools
  • Finite Element (FEA), Computational Fluid Dynamics (CFD) and other numerical simulation techniques through tools such as ANSYS and Simcenter
  • Metrology and mechanical measurement techniques
  • Coordinate Measurement Machines (CMM)
  • Scanning Electron Microscopy (SEM)
  • Material testing
  • Temperature and heat transfer
  • Testing and evaluation
  • Develop procedures, execute, and document performance measurements that inform engineering decisions and product qualification
  • Experience with commercial software to control experimental hardware systems; examples include C, C++, Python, MATLAB, VEE or LabView
  • Geometric Dimensioning and Tolerancing (GD&T)
  • Failure Mode and Effects Analysis (FMEA)

Additional Details
This job has a full time weekly schedule. Applications for this job will be accepted until at least May 22, 2026 or until the job is no longer posted.
The full-time equivalent pay range for this position is $116,800.00 - $182,500.00/yr plus eligibility for bonus, stock and benefits. Our pay ranges are determined by role, level, and location. Within the range, individual pay is determined by work location and additional factors, including job-related skills, experience, and relevant education or training. During the hiring process, a recruiter can share more about the specific pay range for a preferred location. Pay and benefit information by country are available at: https://careers.agilent.com/locations
Agilent Technologies, Inc. is an Equal Employment Opportunity and merit-based employer that values individuals of all backgrounds at all levels. All individuals, regardless of personal characteristics, are encouraged to apply. All qualified applicants will receive consideration for employment without regard to sex, pregnancy, race, religion or religious creed, color, gender, gender identity, gender expression, national origin, ancestry, physical or mental disability, medical condition, genetic information, marital status, registered domestic partner status, age, sexual orientation, military or veteran status, protected veteran status, or any other basis protected by federal, state, local law, ordinance, or regulation and will not be discriminated against on these bases. Agilent Technologies, Inc., is committed to creating and maintaining an inclusive in the workplace where everyone is welcome, and strives to support candidates with disabilities. If you have a disability and need assistance with any part of the application or interview process or have questions about workplace accessibility, please email job_posting@agilent.com or contact +1-262-754-5030. For more information about equal employment opportunity protections, please visit www.agilent.com/en/accessibility.
Travel Required:
Occasional
Shift:
Day
Duration:
No End Date
Job Function:
R&D

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