Simulating Electrolyte Aging for Battery R&D | QuantistryLab Multiscale Simulations

A battery’s electrolyte will age over time, which can have significant effects on the performance of the battery cell. In this use case, QuantistryLab is used to study how the aging process affects the viscosity of the electrolyte and the battery’s overall performance.

Electrolyte decomposition is a major factor impacting the performance and safety of modern batteries. In this use case, QuantistryLab is employed to simulate and study the products of the thermal decomposition of a commercially available electrolyte contained in lithium-ion batteries.

Viscosity is an essential property of lubricants when it comes to performance. In this use case, the QuantistryLab platform is used to investigate the viscosity of a high-performance lubricant under a range of conditions using molecular dynamics simulations.

The quantum nanoreactor simulates and predicts the results of chemical reactions using metadynamics simulations. In this use case, the QuantistryLab platform is used to study the activation reaction of the anticancer drug cisplatin.

Optimizing electrolyte formulations is essential for the development of high-performance batteries. This use case explores how the QuantistryLab platform enables users to simulate and predict the viscosity of an electrolyte formulation.

The interaction of the lubricant components with metallic or oxidized surfaces plays a fundamental role in the formation of a protective film. Atomistic simulations provide in-depth insights into the adsorption of additives on the surfaces, their binding mode and binding strength.