From the QuantistryLab Community: Predicting the Properties of Complex Formulations with Multiscale Simulations

Quantistry is transforming how researchers design and optimize materials across industries. Among its most engaged community members, computational biophysicist Gleb Novikov has demonstrated the power of these simulations in decoding the molecular interactions of complex liquid formulations.

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.

This use case illustrates how QuantistryLab enables users to simulate and predict the diffusion properties of electrolyte formulations under varying conditions.

In this article, we explore how QuantistryLab's Quantum Nanoreactor offers a groundbreaking approach to simulating chemical reactions and decomposition processes.

Calculating the density of states of a material can provide valuable insights into its electronic, thermal and ion transport properties, especially conductivity, playing an important role in the development and optimization of novel compositions.

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.