DuPont Computational Chemistry SME in Wilmington, Delaware

Computational Chemistry SME (Job Number: 190476W-01)


Primary Function:

Performs computational chemistry simulations and analyses in support of all Electronics and Imaging businesses

Job Description:

The Electronics & Imaging (E&I), Engineering Science, Applications and Systems Engineering group supports the development of new applications for new and existing E&I products, and the development of electromechanical systems used in E&I manufacturing and R&D facilities. In addition, this group provides advanced computer modeling capabilities in support of R&D, application development and manufacturing.

The Computational Chemistry SME (Subject Matter Expert) position provides advanced computational chemistry simulation and analysis expertise across all E&I businesses. Examples of expected types of simulations and analyses include (but are not limited to):

  • Estimating diffusion coefficients and dielectric properties using molecular dynamics methods

  • Energetics of chemical reactions (e.g. identifying key transition states, intermediates, assessing solvent effects)

  • Developing quantitative structure property relationships for small molecules

As part of the leveraged Engineering Science organization, the selected applicant will work with new product and application development teams as well as the manufacturing technical and R&D organizations at E&I manufacturing sites to support a wide variety of exciting initiatives ranging from the development of new polymeric materials to the development and/or improvement of manufacturing processes. As such, the candidate should have a strong interest in learning new techniques and developing his/her capabilities as required to address business needs.

Site: Wilmington, DE or Marlborough, MA

DuPont is an Equal Opportunity Employer

DuPont is an e-Verify Employer



Required Skills:

  • PHD in chemistry, chemical engineering, materials science, or related

  • Expertise in electronic structure methods, ab initio molecular dynamics, and free energy calculations with major quantum chemistry or plane wave computational packages

  • Experience in using major quantum-chemical/solid-state simulation packages (VASP, Gaussian, Materials Studio, Quantum ESPRESSO, CASTEP, etc.)

  • Experience with high-performance computing

  • Experience scripting in Linux/Unix environment for job automation and data analysis/workup

  • Demonstrated record of research productivity (industrial or academic)

  • Ability to manage multiple (2-3) simultaneous projects

  • Strong interpersonal and communications skills

Primary Location: NA-United States-Delaware-Wilmington

Organization: Electronics & Imaging

Schedule: Full-time

Education Level: Doctorate Degree (over 19 years)

Employee Status: Regular

Job Type: Experienced

DuPont is an equal opportunity employer. Qualified applicants will be considered without regard to race, color, religion, creed, sex, sexual orientation, gender identity, marital status, national origin, age, veteran status, disability or any other protected class. If you need a reasonable accommodation to search or apply for a position, please visit our Accessibility Page for Contact Information. For US Applicants: See the “Equal Employment Opportunity is the Law” poster.