ReaxFF Computational Materials Scientist

SES; Woburn (MA); On-site; USD 100,000 - 130,000; Full time

Benefits offered by this job

Comprehensive health coverage

Equity/stock options program

Opportunities for professional growth

Job summary

SES is looking for a Computational Chemist specializing in advanced simulation techniques in Woburn, MA. As part of the AI Prometheus team, you will work on physics-based simulation utilizing reactive force-field development, drive materials discovery using AI methods, and maintain simulation tools. A Ph.D. in Computational Chemistry or related fields is required along with strong coding skills. SES offers a competitive salary, comprehensive benefits, and opportunities for professional growth.

Qualifications

• Deep, demonstrated expertise in advanced physics-based simulation.
• Proven experience with Reactive Force Fields (ReaxFF).
• Strong coding ability in Python, C++, or FORTRAN.

Responsibilities

• Develop and apply advanced simulation techniques for modeling materials.
• Generate and validate atomistic and mesoscale datasets for ML potentials.
• Collaborate across computational and experimental teams to enhance workflows.

Skills

Advanced physics-based simulation

Reactive Force Fields (ReaxFF)

Machine Learning Integration

Strong coding skills (Python, C++, FORTRAN)

Battery chemistry modeling

Education

Ph.D. in Computational Chemistry of Energy Materials, Materials Science, or Computational Physics

Tools

VASP

LAMMPS

GROMACS

CP2K

Job description

SES is looking for a Computational Chemist specializing in advanced simulation techniques in Woburn, MA. As part of the AI Prometheus team, you will work on physics-based simulation utilizing reactive force-field development, drive materials discovery using AI methods, and maintain simulation tools. A Ph.D. in Computational Chemistry or related fields is required along with strong coding skills. SES offers a competitive salary, comprehensive benefits, and opportunities for professional growth.