Senior Scientist, Computational Chemistry/ML Job at EPM Scientific, Boston, MA

bkR5UjQ4ZjVYdkhZdzY0a3Zxc1oxVGo4VUE9PQ==
  • EPM Scientific
  • Boston, MA

Job Description

Title: Senior Scientist

Location: Boston, MA

Company Summary:

Currently partnered with a leading biotech incubator looking for a highly skilled computational scientist to develop and deploy cutting-edge molecular simulation technologies. This is a hands-on role requiring expertise in algorithm development, molecular dynamics, and machine learning applications. You will pioneer efforts to create scalable, production-level modeling pipelines that redefine how molecular interactions are understood and utilized in drug discovery.

Responsibilities:
  • Develop and implement advanced methods for molecular simulation, including AI-enhanced molecular dynamics and machine-learned force fields.
  • Build robust, scalable cloud-based workflows for modeling biomolecular systems such as proteins, peptides, nucleic acids, and small molecules. **small molecules strongly preferred**
  • Drive the integration of novel algorithms into existing computational pipelines to accelerate therapeutic development.
  • Collaborate with interdisciplinary teams to address complex R&D challenges, ensuring computational tools are aligned with project needs.
  • Validate, benchmark, and deploy innovative approaches for enhanced sampling, free energy calculations, and structure prediction.

Qualifications:

  • Ph.D. in Computational Chemistry, Biophysics, or related field with a focus on molecular simulation.
  • Proven track record of developing and implementing novel algorithms for biomolecular simulation.
  • Strong programming skills in languages like Python or C++, with experience in molecular simulation tools (e.g., OpenMM, GROMACS, AMBER, CHARMM)
  • Familiarity with protein interactions such as:
    • DiffDock, Autodock, Dock, Rosetta, RoseTTAFold-AllAtom
  • Experience with machine learning frameworks (PyTorch, JAX) and cloud computing environments (AWS, Docker, Kubernetes).
  • Expertise in AI-derived or polarizable force fields, enhanced sampling techniques, and free energy calculations.
  • Demonstrated ability to scale computational workflows and optimize pipelines for large datasets.

Job Tags

Similar Jobs

U.S. Marine Corps

C & y prog asst (cdc) (gse-02) cy1* Job at U.S. Marine Corps

Duties SUMMARY OF DUTIES: Serves as a Child and Youth (CY) Program Assistant in one or more Child and Youth Programs (CYP). Maintains control and accounts for whereabouts and safety of children and youth ranging in age from 6 weeks to 18 years. Assists in providing...

Any Hour Services

Drain Technician Job at Any Hour Services

 ...This is a professional business. The primary duties of a Drain Technician are diagnosing stoppages in drain systems, and performing the...  ...background and drug screen Valid drivers license with clean driving record We look forward to hearing from you!... 

Sky Jet Services

Aircraft Sheet Metal Mechanic Job at Sky Jet Services

 ...Structure Mechanics in San Antonio, TX. We're seeking mechanics for heavy structure work on C-checks and D-checks, with experience on aircraft like the E190, A300, Boeing 787, Boeing 757, Boeing 747, MD11, and DC10. Job Type: Contractor. Compensation: $25-$29/... 

Zunch Staffing

TOWER TECHNICIAN II Job at Zunch Staffing

 ...service and experience. THE POSITION: We are looking for a Tower Technician II. The pay range we offer is $45,000 to $65,000 per...  .... Complete required equipment and supply paperwork. Climbing communications structures, to include guyed; self-supporting; monopoles... 

Dare Commercial Services

Office Cleaner Job at Dare Commercial Services

 ...Job Description Dare Commercial Servicesis currently seeking candidates for aPART TIME(early morning hours or evening, two days out of the week) cleaning position for our main office building located in Franklinville, NJ. Overview: Office Cleaner will be responsible...