Our tech world view

Information technology has been exponentially improving for decades, yet material development remains well-nigh untouched by this transformation. While simulation techniques have long been developed in academia, they have still to be widely established in industrial applications. Common barriers are the highly specialized skills needed to use existing tools, computational infrastructure and lack of trust in the ability of simulations to reproduce material properties. In addition, most of the value in simulation trajectories go unused due to insufficient analysis techniques.

Compular is addressing these technology challenges by building a software designed to be easy to use for material scientists without computational background, where the simulation process is automated and run in the cloud, and much more value is extracted by our advanced analysis capabilities. 

Client references

How it works

Purpose Key properties With Compular you can...

Power density & Fast charging

✓ Max current

✓ Voltage

✓ Rate capabilites

...optimize your electrolyte composition for (cat)ionic conductivity, transference number, rate of solvation dynamics, viscosity, diffusivities, stability vs electrodes

Battery safety

✓ Operating Temp. Range

✓ Volatility

✓ Flammability

...optimize for conductivity, transference number etc. using low volatile salts/solvents

...perform high temperature screenings

Energy Density

✓ Voltage

✓ Capacity

...compute HOMO/LUMO gaps and redox potentials to predict voltage stability of the electrolyte

Environmental Friendliness

✓ Toxicity

✓ Material Abundance

✓ Production Chain

...screen electrolytes using more environmentally friendly chemistries without the need to purchase them beforehand

Battery life

✓ SEI growth and composition

✓ Resistance build-up

✓ Loss of active material and electrolyte

...predict electrolyte composition at the molecular level and reaction mechanisms of degradation to better access the composition of SEI/CEI

...predict reduction and oxidation process to access the quality of SEI/CEI.

Low temperature performance

✓ Liquidus range

✓ Viscosity

✓ Ionic conductivity

...optimize (cat)ionic conductivity, viscosity, liquidus range, diffusivities, rate of solvation dynamics for low temperature performance

Free trial

Although we are hard at work creating the world’s most advanced and intuitive material property prediction software, we can’t wait to let users try it out right away. Therefore, we offer a free trial version of the full product to selected customers when booking a meeting.

Free trial