Use Cases
Predicting Material Properties for Industry: QuantistryLab’s Electronic Structure Simulations
In materials science, a material’s electronic structure governs its fundamental behavior, influencing key industrial properties such as electrical conductivity, optical absorption, and chemical reactivity.
Optimizing Open Circuit Voltage of Electrode Materials | QuantistryLab Battery Developer
The open circuit voltage (OCV) is a key property of a battery’s electrodes that determines its energy density. This use case shows how QuantistryLab’s simulations can be used to investigate and optimize the OCV of electrode materials.
Calculating the Density of Electrolyte Formulations | QuantistryLab Multiscale Simulations
The density of the electrolyte is a reliable measurement used in battery quality control to ensure the composition follows all manufacturing requirements. This use case showcases how QuantistryLab simulations accurately calculate the density of multiple combinations of typical electrolyte solvents.
Simulation Tools for Electrolyte Characterization with QuantistryLab
Optimizing electrolyte formulation is essential to the development of high-performance batteries. QuantistryLab offers multiple simulation tools to investigate key properties of an electrolyte formulation that can be integrated in battery R&D workflows to reduce costs and development time.
Optimization of Plasticizer Properties | QuantistryLab Viscosity Simulations
The viscosity of a plasticizer is of major importance to its efficiency. In this use case, QuantistryLab is used to model a commercial plasticizer and predict its viscosity using molecular dynamics simulations.
Optimization of Carbon Capture Solutions | QuantistryLab Viscosity Simulations
The optimization of key properties such as viscosity is essential for the development of carbon capture materials that work faster and more efficiently. This use case highlights how QuantistryLab can be used to calculate the viscosity of chemical compounds used in carbon capture applications.
