Senior Computational Chemist - Electrolyte Design & AI

Alsym Energy; Malden (MA); On-site; USD 150,000 - 230,000; Full time

Benefits offered by this job

Prime Location

Free on-site parking

On-site gym

Friday lunch delivery

Blue Cross Blue Shield health & dental

401k + stock options

Flexible PTO

Paid Family Leave

Job summary

Alsym Energy seeks a Computational Physical Chemist to shape electrolyte discovery and development. You will blend physical chemistry with ML/AI, using MD or DFT to propose formulations and transfer insights into battery performance, lifetime, and safety.

Join the Discovery and Early Prototyping team to own research questions from hypothesis to experimental validation, driving high-impact advances for non-flammable sodium-ion batteries. Strong collaboration with experimentalists is essential.

Qualifications

• PhD in physical chemistry, computational chemistry, chemical engineering, electrochemistry, or closely related field with independent research.
• Thermodynamics, statistical mechanics, chemical kinetics, and electrochemistry knowledge.
• Experience with MD or DFT, including model selection and validation.
• ML/AI for scientific prediction with uncertainty assessment.
• Strong Python and scientific software skills and HPC workflows.
• Publish or patent-worthy contributions in relevant fields.
• Define and lead computational electrolyte research agenda and hypotheses.
• Use MD/DFT to study solvent, salt, and interfacial interactions.
• Develop ML/AI models combining simulation and experimental data.
• Investigate stability and interphase formation with diagnostics collaboration.
• Turn results into predictive design rules and ranked candidates.
• Collaborate with experimentalists to design discriminating experiments.
• Build reproducible computational workflows with version control.

Responsibilities

• Lead research questions from hypothesis through validation and transfer to experiments.
• Develop models that predict electrolyte properties from simulation and data.
• Create predictive design rules and select high-value candidates.
• Collaborate with experimental electrolyte scientists on discriminating tests.
• Communicate uncertainty and validation criteria; contribute to IP and tooling.

Skills

PhD in physical chemistry

MD/DFT expertise

ML for science

Python programming

HPC workflows

Interdisciplinary collaboration

Predictive design rules

Education

PhD in physical chemistry

Tools

MD packages

DFT packages

HPC workflows

Job description

Alsym Energy seeks a Computational Physical Chemist to shape electrolyte discovery and development. You will blend physical chemistry with ML/AI, using MD or DFT to propose formulations and transfer insights into battery performance, lifetime, and safety.

Join the Discovery and Early Prototyping team to own research questions from hypothesis to experimental validation, driving high-impact advances for non-flammable sodium-ion batteries. Strong collaboration with experimentalists is essential.