QSimulate

Batteries

Accelerating Battery Innovation with Industry Leading Simulation Expertise

As a Materials Simulation Partner, We Turbocharge Your Battery R&D

Accelerating Battery R&D with Cutting-edge Quantum Mechanical Simulations

Cathode

Understand and improve energy density

Electrolyte

Optimize electrolyte composition for reactivity, efficiency, and resiliency

Anode

Characterize SEI formation

Next Generation Quantum Mechanical Simulation

Cathode

Voltage
Safety (O2 release)
Li diffusion
Electron transport
Cyclability
Capacity
Absorption
Host/Li stoichiometry DOS
CEI formation

Electrolyte

Ionic conductivity
Migration energy barrier
Reactions at cathode/anode
Stability against Li
Thermal stability
Propensity to form SEI/CEI

Anode

Adsorption
Diffusion
Capacity
Volume changes Voltage
Host/Li stoichiometry DOS
SEI formation

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