AI-Driven Materials Scientist — Sodium-Ion Battery Design

Alsym Energy Inc.; Malden (MA); On-site; USD 140,000 - 210,000; Full time

Benefits offered by this job

Prime location near transit

On-site gym

Free Friday lunch

401k + stock options

Flexible PTO

PFML

Job summary

Alsym Energy is seeking a Computational/AI Materials Scientist to advance sodium-ion battery materials, collaborating across synthesis, characterization, and testing teams. You will develop AI-driven workflows, apply first-principles and atomistic simulations, and translate in-silico insights into experimental directions.

A PhD and strong background in solid-state chemistry and thermodynamics are preferred.

Qualifications

• PhD in materials science, computational chemistry, condensed-matter physics, chemical engineering, or closely related field.
• Experience applying AI/ML or first-principles methods to materials problems.
• Strong knowledge of solid-state chemistry, thermodynamics, crystallography, and structure–property relationships.
• Proven ability to connect in-silico predictions to experiments.

Responsibilities

• Develop AI-driven and first-principles workflows for materials discovery.
• Screen candidate materials and guide experimental validation.
• Collaborate with synthesis and cell-testing teams.
• Build reusable computational infrastructure and curated datasets.

Skills

AI/ML for materials

First-principles calculations

Atomistic simulations

Solid-state chemistry

Thermodynamics & crystallography

Experiment collaboration

Education

PhD in materials science or related field

Tools

DFT codes (VASP, QE)

ML frameworks (TensorFlow, PyTorch)

Job description

Alsym Energy is seeking a Computational/AI Materials Scientist to advance sodium-ion battery materials, collaborating across synthesis, characterization, and testing teams. You will develop AI-driven workflows, apply first-principles and atomistic simulations, and translate in-silico insights into experimental directions.

A PhD and strong background in solid-state chemistry and thermodynamics are preferred.