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Scientist - Molecular Dynamics

CFD Research Corporation
Huntsville, AL Full Time
POSTED ON 4/27/2026
AVAILABLE BEFORE 10/23/2026
About CFD Research: Since its inception in 1987, CFD Research has delivered innovative technology solutions within the Aerospace & Defense, Biomedical & Life Sciences, Intelligence & Sensing, and Energy & Materials industries. CFD Research has earned multiple national awards for successful application and commercialization of innovative component/system technology prototypes, multi-physics simulation software, multi-disciplinary analyses, and expert support services. Based in Huntsville, Alabama where laboratory facilities and headquarters are located, CFD Research also has office and laboratory facilities in Dayton, Ohio, prototyping test and evaluation facilities in Hollywood, Alabama, and office facilities in Fort Walton Beach, Florida. CFD Research is an ISO9001:AS9100D registered company and is appraised at CMMI Level II for Services. CFD Research is a 100% ESOP (employee-owned company) recognized in Inc. Magazine's Inc5000 as a top growing company for four of the last five years. Learn more at www.cfd-research.com

We are seeking a highly motivated Molecular Dynamics (MD) Scientist to join our research team. The successful candidate will design, execute, and analyze molecular dynamics simulations to investigate biomolecular systems at surfaces. They will work closely with our multiphysics and AI/ML modeling teams towards help develop a multiscale modeling framework for studying biocatalysis.

Key Responsibilities

  • Design and perform molecular dynamics simulations using platforms such as GROMACS, NAMD, LAMMPS or similar.
  • Interpret simulation results and integrate findings with experimental data
  • Prepare technical reports, publications, and presentations

Basic Qualifications

  • PhD or Master's degree in Computational Chemistry, Biophysics, Chemical Engineering or a related field
  • 2-5 yrs of experience in molecular dynamics modeling of biomolecules including proteins and DNA
  • Hand-on experience with at least one major MD package
  • Experience with developing automated workflows (Python) and utilizing high-performance & parallel computing
  • Strong communication skills and ability to work well in a multidisciplinary team

Desired Qualifications

  • Experience in enhanced sampling techniques (e.g., metadynamics, replica exchange)
  • Knowledge of quantum mechanics/molecular mechanics (QM/MM) methods
  • Experience in drug discovery, protein–ligand binding analysis, materials modeling, or membrane simulations

Location: This role is based in the Huntsville, AL area, and is 100% onsite.

Benefits: CFD Research offers competitive salaries and excellent employee benefits, including an employer matching 401(k) and Employee Stock Ownership Plan (ESOP). CFD Research offers our Full-Time, permanent employee-owners a highly competitive insurance package, including medical, vision, and dental insurance. Additionally, we offer company paid leave, compensation time, parental leave, long-term and short-term disability, accidental death and dismemberment, and life insurance. Part-Time and Temporary employee-owners may receive partial or reduced benefits and leave time based on their employment status level. Performance appraisals occur twice a year and annual pay increases are based upon corporate goals, personal development, performance, and outstanding achievements. In addition, group and individual bonuses are awarded for exceptional performance.

CFD Research is an EO employer - Veterans/Disabled and other protected categories

Salary.com Estimation for Scientist - Molecular Dynamics in Huntsville, AL
$85,029 to $100,975
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Job openings at CFD Research Corporation

  • CFD Research Corporation Huntsville, AL
  • About CFD Research: Since its inception in 1987, CFD Research has delivered innovative technology solutions within the Aerospace & Defense, Biomedical & Li... more
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  • About CFD Research: Since its inception in 1987, CFD Research has delivered innovative technology solutions within the Aerospace & Defense, Biomedical & Li... more
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