Quantistry

?? ??????-?????????????????????? ?????????????? ??????????????????????: ?????????????? ?????????????????????? ?????????????????? ???????? ??????????????????????????? ? At low temperatures, lithium-ion battery performance drops—often dramatically. The culprit? Slower ion diffusion, higher viscosity, and disrupted transport mechanisms within the electrolyte.? ? This is critical for applications like electric vehicles and aerospace, where reliable performance in cold environments is non-negotiable.? ? Through traditional R&D, understanding temperature effects and optimizing electrolyte formulations under these conditions remains challenging, time-consuming, and costly.? ? ?? ?????????????????????????? ???????????????? ?? ????????????, ????????????????????-?????????? ????????????????:? ?? Predict temperature-dependent ion and solvent mobility? ?? Explore how solvation and molecular interactions affect transport? ?? Streamline formulation optimization—without lengthy experimental cycles? ? ?? ?????????????? ?????? ?????????????????????????? ?????? ???????? ?????? ?????????????? ?????????????????????? ???????????????? ?????? ?????????????? ?????????????? ??&???? ?? Let’s have a chat: https://lnkd.in/d9pZQw7c? ? #QuantistryLab #Battery #Electrolytes #EnergyStorage

?? ??????????????????????????’?? ?????????????? ??????????????????????: ?????????????? ???????????????? ???????????? ?????? ?????????????? ??&?? & ????????????? ? Electrolyte degradation in battery R&D leads to toxic, flammable, and corrosive by-products.?? ? Across industries, predicting molecular stability, polymerization, and catalytic reaction pathways remains a key challenge.? ? ?? ???????? ??????????????????????????’?? ?????????????? ??????????????????????—a machine-learning-powered quantum chemistry tool that predicts reaction pathways, stability, and decomposition processes—without predefined assumptions.? ? This tool unlocks new possibilities for material design across key industries:? ? ?? Battery R&D – Predict electrolyte degradation for safer, longer-lasting batteries? ?? Polymers – Model molecular stability and oligomerization? ?? Catalysis – Discover new reaction mechanisms for more efficient processes? ? ?? ?????????? ???? ?????????????? ?????? ???????? ???????????????? ???? ???????????????? ????????????? ??????’?? ???????? ?? ????????!? ?? https://lnkd.in/eyjmH5Bw

?? ???????????????? ??????????-?????????? ?????????????? ?????????????????? ???????? ??????????????????????????? ? The future of energy storage relies on high-performance solid-state materials, but traditional trial-and-error R&D faces major roadblocks:? ? ? Time- and resource-intensive? ? Slow iteration cycles? ? Limited predictability? ? Enter QuantistryLab’s physics- and AI-driven simulations.? ? ???????? ??????????????????????????, ?????? ??????:? ? ? Run predictions like a pro with our Click&Simulate technology? ? Accurately predict electronic structure features of solid electrolytes & electrodes? ? Gain key conductivity insights to optimize materials more efficiently? ? ?? ?????????? ???? ???????????????????? ???????? ?????????????? ??&??? ??????’?? ???????? ?? ????????! ?? https://lnkd.in/dNwND9pN ? #SolidStateBatteries #AI #MaterialsScience #EnergyStorage?

?? ???????? ?????????????????? ???? ????????????????: ?????????????????? ?????? ???????????????? ???? ?????????????? ??&??? ? The solid-electrolyte interphase (SEI) is critical to battery performance, but it remains a challenge. When stable, it protects the battery. When unstable, it depletes active materials and reduces efficiency.? ? ?? ?????? ???? ?????? ???? ???????? ???? ???????????? ? Forms dynamically during the first charge cycle? ? Just 100 nanometers thin—too small for most experimental methods? ? Changes over time, reacting with its environment? ? Trial and error won’t cut it anymore. Next-generation battery R&D needs data-driven precision.? ? ?? ?????? ???? ?????????? ???? ?????? ?????? ???? ?????? ????????: https://lnkd.in/dg78wknv ? #Battery #MaterialsScience #EnergyStorage #BatteryInnovation #QuantumChemistry #MultiscaleSimulations #SolidElectrolyteInterphase?

Thank you,The Quantum Insider, for featuring our collaboration with Airbus!??? Check out the full article:?https://lnkd.in/duvtbWEz

?? ?????? ?????? ?????????????????????? ?????????????? ?????????????????????? ?????????? ?????? ?????? ???????????? ???? ?????????????? ???????????????????????? ? As batteries operate, their electrolytes degrade. How can we predict, understand, and even mitigate this phenomenon before it impacts battery performance?? ? ?? ?????? ??&?? ??????????????????? ? High temperatures and chemical reactions accelerate electrolyte degradation, affecting viscosity, ion mobility, and overall performance. Meanwhile, traditional lab testing remains costly and time-intensive.? ? ?? ?? ?????????????? ????????????????: ??????????????????????????’?? ?????????????????????? ??????????????????????? ? ? Model electrolyte aging at the atomic level.? ? Simulate decomposition reactions using the quantum nanoreactor.? ? Predict key electrolyte property changes like density, viscosity, and diffusion.? ? Optimize formulations for better battery performance—before physical testing.? ? ?????????? ???? ?????????????????? ???????? ?????????????? ??&?? ???????? ??????????????????????????? ?? ?????? ?????????????? ??????????: https://lnkd.in/eYPbmyX9

???????????????? ?????????????????????? ???????????????????????? ???????? ??????????????????????????’?? ?????????????????? ?????????????????????? Viscosity impacts ion mobility, charge efficiency, and battery lifespan—but finding the right formulation is time-consuming and costly. ?? ?????? ??&?? ??????????????????? Optimizing electrolyte viscosity across conditions requires extensive testing of hundreds of candidates. ?????? ????????????????? QuantistryLab’s viscosity simulations. ? Predict viscosity for your formulations. ? ? Simulate temperature, pressure & composition effects.? ? Screen candidates virtually before physical testing. ?????? ???????? ?????? ?????? ??????????!?Try QuantistryLab’s viscosity simulation in our Community Edition—at no cost. ?? ?????????? ???????????????????? ??????????:?https://lnkd.in/dMgxCzQg

?? ???????????????? ???????? ????????: ???????? ???????????? ???? ?????? ?????????????????? ?????????????? ???? ??????????????????????????!? ? You voted, and we listened! After an amazing response to our latest polls, we’re excited to announce that the Viscosity Feature will be available for free in the QuantistryLab Community Edition for two weeks, starting February 17!? ? ?? ?????? ???? ?????????????????? ???????????????? ???????????????????? Viscosity is a key parameter in materials design, affecting everything from lubricants and polymers to battery electrolytes and soft materials.?? ? With QuantistryLab, you can accurately predict viscosity, saving time, cost, and experimental effort while optimizing formulations for your specific application.? ? ?? ???????? ?????? ?????? ???? ???????? ???????? ???????????????? ? Predict the viscosity of liquid formulations, such as lubricants and electrolytes? ? Effortlessly design your own liquid formulations and Click&Simulate viscosity using Molecular Dynamics-based Green-Kubo calculations? ? Gain deeper insights into flow behavior and material properties? ? Whether you’re working in academic research or industrial R&D on battery materials, lubricants, or other complex liquid formulations, this is your chance to explore viscosity modeling with cutting-edge simulations.? ? ?? ?????????? ???? ???????? ???????? ???????????????? ???? ?????? ???????? ???????????? ?? ?????????????? ???????? ???????????? ???? ?????????????????????????? ??????????: https://lnkd.in/dqBczceh ? #QuantistryLab #Viscosity #MaterialsScience #BatteryMaterials #Electrolytes #Lubricants #Formulations #ChemicalSimulations #MolecularDynamics?

?? In the latest episode of?"Digital Transformation: The Influencers", Dr. Leopold von Gerlach speaks with our CEO, Dr. Marcel Quennet, about the groundbreaking role of quantum computing and AI in shaping the future of materials research. Don't miss out! → https://lnkd.in/eEjr2VKD

?? ?????? ?????? ?????????????????????? ?????????????? ?????????????????????? ?????????????????? ?????? ?????????????????????????? ?????? ??????????, ????????????-?????????????? ???????????????????? ? Electrolyte decomposition is a critical challenge in battery R&D. It impacts performance, cycle life, and safety—and in extreme cases, can lead to toxic by-products, corrosion, and fire hazards.? ? ?? ?????? ???????? ?????????????????????? ?????????????????????? ?????????????? ? Thermal instability – Lithium salts and organic components in the electrolyte degrade at high temperatures.? ? Hazardous by-products – Toxic, flammable, and corrosive compounds can form.? ? Gas evolution – Decomposition releases gases that cause battery swelling, fire, or explosion risks.? ? Traditional analysis is slow and costly – Lab experiments require extensive testing to identify degradation products.? ? ? ?????? ?????? ???? ?????????????? ?????????????????????? ?????????????????????????? ???????????? ?????? ???????? ???????????????????????? With QuantistryLab’s Quantum Nanoreactor Simulations!? ? ? Simulate thermal decomposition of electrolyte formulations under controlled conditions.? ? Identify decomposition by-products before running physical experiments.? ? Analyze safety risks such as gas formation, toxic compounds, and corrosive effects.? ? Optimize electrolyte formulations to improve stability and performance.? ? With just a few clicks, QuantistryLab’s holistic simulation approach combines quantum chemistry and AI to refine electrolyte formulations—saving time, cost, and risk.? ? ???????????? ???? ?????????????????? ???????? ?????????????? ??&???? ?? ?????? ?????????????????????????? ?????? ???????? ??????????: https://lnkd.in/d-CVTTdQ ? #BatteryMaterials #MaterialsScience #Electrolytes #BatterySafety #QuantistryLab #Quantum #AI #ResearchAndDevelopment?