The Electric Double Layer: Decoding the Birthplace of the SEI
In the quest for better batteries, the Electric Double Layer (EDL) has emerged as one of the most critical frontiers. While bulk electrolyte properties often dominate discussions, the real action unfolds within just a few nanometers where the liquid electrolyte meets the solid electrode. The structure of this interfacial region governs interfacial resistance, capacitance, and…
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Webinar: Accelerating Liquid Formulation with Multiscale Simulations & AI
We are excited to announce that Compular, an EMMC , will be hosting an upcoming webinar: “Supercharging Liquid Formulation with Multi-Scale Simulations and AI.” Introduction Liquid formulations are key to many technological areas including batteries, photovoltaics, semiconductors, pharmaceuticals and personal care products. Yet formulation work is challenging due to the truly vast space of possible…
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Compular at the EIC Corporate Day with Merck Group
We are excited to share that Compular was part of the EIC Corporate Day hosted by Merck Group in Darmstadt, Germany. Our Chief Business Development Officer, Soniya Rao, represented Compular and showcased our cloud-based molecular-scale simulation platform enabling rapid digital screening of chemistries, solvents, and materials to accelerate sustainable materials discovery. This event brought together…
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Reducing Development Cycles in High-Voltage Battery Electrolytes
Download whitepaper High-voltage cathodes like LiNiₓMnᵧO_z (LNMO) offer fast lithium transport, thermal stability, and a cobalt-free path forward but electrolyte instability above 4.3 V limits performance. Traditional additive discovery is slow, resource-intensive, and often trial-and-error. In our latest white paper, developed with Morrow Batteries, we present a predictive computational–experimental workflow to accelerate electrolyte additive screening. Predictive…
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Accelerating Ionic Liquid Electrolyte Development with Molecular Simulations
Download whitepaper Ionic liquids (ILs) are emerging as promising electrolytes for next-generation lithium-metal batteries, offering high stability, non-flammability, and broad electrochemical stability windows. Yet their high viscosity and strongly correlated ion motion can limit conductivity, especially at high salt concentrations or low temperatures. Traditional experimental approaches struggle to explore this complex design space efficiently. At…
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From Molecules to Full Cylindrical Cells: Coupling Atomistic Simulations and Battery Modeling
Download whitepaper Accurate electrolyte transport data are essential for predictive battery modeling, yet obtaining them experimentally remains one of the most persistent challenges in electrochemistry. Properties such as ionic conductivity, diffusivity, and transference number are difficult to measure reliably, and reported values in the literature can differ significantly. Even established experimental methods can produce contradictory…
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