Senior Computational Materials Scientist Sodium-Ion Battery

Alsym Energy; Malden (MA); On-site; USD 120,000 - 180,000; Full time

Benefits offered by this job

Prime Location within walking distance

Free on-site parking

On-site gym

Friday Lunch Delivery

Health & Dental Insurance

401k plans and stock options

Flexible PTO

Paid Family & Medical Leave

Job summary

Alsym Energy is seeking a Computational Materials Scientist to design cathode and anode materials for sodium‑ion batteries. You will join the Materials Simulation team and shape research priorities by combining atomistic modeling with materials chemistry to improve energy density, lifetime, rate capability, and safety.

PhD in a relevant field and strong Python/HPC skills are required; collaboration with synthesis and characterization teams to validate predictions will be essential for success.

Qualifications

• PhD with original research and independence.
• Solid‑state chemistry, thermodynamics, electronic structure knowledge.
• DFT for solids with phase stability and defects expertise.
• Connect atomistic results to electrochemical behavior; validate with experiments.
• Strong Python and scientific software skills; automate workflows.
• Publications or patents demonstrating impact.
• Identify problems, own direction, work in a team.
• Design and prioritize material families for experimental evaluation.
• First‑principles calculations on stability, redox, and transport.
• Develop reusable computational capabilities with robust validation.

Responsibilities

• Design and discover cathode/anode materials for sodium‑ion batteries.
• Propose compositions and structures; explain performance limits.
• Bridge fundamental discoveries to practical energy density improvements.
• Collaborate with synthesis and characterization teams to validate predictions.
• Build screening workflows connecting structure to properties.
• Apply ML methods to improve predictions and reduce materials space.

Skills

PhD in materials science

Solid-state chemistry

DFT for solids

atomistic results interpretation

Python & scientific software

experimental collaboration

computational workflow automation

data analysis & reproducibility

material design strategy

validation with experiments

voltage, capacity & transport analysis

structure-property relationships

publication/patent contributions

team mentorship

Education

PhD in materials science, computational chemistry, condensed-matter physics, chemical engineering, or closely related field

Tools

High-performance computing

Job description

Alsym Energy is seeking a Computational Materials Scientist to design cathode and anode materials for sodium‑ion batteries. You will join the Materials Simulation team and shape research priorities by combining atomistic modeling with materials chemistry to improve energy density, lifetime, rate capability, and safety.

PhD in a relevant field and strong Python/HPC skills are required; collaboration with synthesis and characterization teams to validate predictions will be essential for success.