Solution
QuantistryLab for Lubricants and Polymers
Lubricants are essential in industries such as automotive and mechanical engineering. Polymers, known for their versatile properties, are crucial in sectors such as optics, construction, and electronics. Use QuantistryLab’s range of computational methods to predict key properties of polymers and lubricants under various environmental conditions.
The New Way to R&D
Unleash the Power of Leading-Edge Technology
QuantistryLab is the world’s most intuitive cloud-native chemical simulation platform. Tailored for the design and discovery of novel chemicals and materials, QuantistryLab makes R&D intuitive, data-driven, and impactful. Move beyond traditional chemical simulation software and boost your R&D success. From Quantum to AI.
Predict and Design
Quantify Key Descriptors
QuantistryLab can easily and reliably predict relevant features of polymers and lubricants, such as mechanical and thermal properties, glass transition temperature, viscosity, diffusion, and density.
.png)
High-Throughput Screening
Structure-Property Relationship
Navigate the chemical space by determining key properties as a function of composition, additives, and environmental conditions. QuantistryLab's high-throughput screening identifies the best polymer or lubricant candidates for a desired application.
Surface Processes
Chemical and Physical Adhesion
Simulate the interaction of polymer and lubricants with chosen surfaces to predict and explore binding scenarios. QuantistryLab quantifies chemical and physical properties related to adsorption, including binding strength and mechanism, reactivity, and stability.
Solution
The New Way to R&D
Powerful simulations for every Use-Case. Discover the Use-Case Modules that will help you make breakthrough discoveries.
Accesibility
Instantly access a broad spectrum of chemical and material structures, and run your own multiscale atomistic simulations—all with just a click.
Expertise
Expertise - From Quantum to AI. Predict with the precision of quantum chemistry. Explore with multiscale simulations. Discover and design with AI.
Cloud-Native
All you need is a web browser. Harness the power of multiscale atomistic simulations. No coding, no hassle.
Discover. Predict. Design.
Choose Your Use-Case
Energy Storage and Battery Materials
Shorter charging times, higher energy and power densities—QuantistryLab’s multiscale simulations enable prediction, optimization, and design, from atoms and molecules to macroscopic properties.
Metals, Alloys & Ceramics
Quantify the effects of dopants, characterize compositions and structural modifications, and identify the best material candidates with the desired properties. Guide your experimental intuition with QuantistryLab.
Catalysis and Hydrogen Fuel Cells
Screen the material space, rationalize heterogeneous catalysis processes, and investigate key chemical and physical phenomena. QuantistryLab provides invaluable digital support to efficiently address your challenges in catalysis and hydrogen fuel cells R&D.
.jpeg)
Digital Organist Chemist
From synthesis to characterization, from reaction discovery to spectral fingerprinting, QuantistryLab’s multiscale simulations are the ideal digital companion for every organic chemist.
Optics and Semiconductors
Simulate the effects of dopants, compositions, and structural modifications on the optical response of solid-state systems. Discover, design, and optimize semiconductor materials for desired industrial applications.
Polymers
Predict key properties of polymers and explore the effects of cross-linking and environmental conditions. Determine the dynamical behavior of your system, stability, and adhesion with chosen surfaces.
Lubricants
Optimize formulations, rationalize the additive effects, or quantify chemical/physical properties. With QuantistryLab, you can simulate a variety of experimental scenarios with just a few clicks.
Use-Case
Surface Interaction of Additives
Whether in a gearbox, a rolling bearing or on a motorcycle chain, the goal of lubricant research is to ensure that oils and greases adhere to a surface as effectively as possible to reduce friction between materials. Therefore, the question arises if and how the lubricant components interact with surfaces. The binding situation is defined at the atomic level, which is why quantum chemical simulations are a powerful tool to identify, optimize and design innovative lubricants.
Use-Case
Thermal Stabilities
Very often greases and oils are used under extreme conditions. Be it in a vehicle engine, industrial manufacturing or energy production. In many places, high temperatures of several hundred degrees Celsius, among other things, place special demands on the stability of lubricants. With the help of ab-initio simulations, possible fragmentations can be simulated cost- and time-efficiently. The possible resulting decomposition products can be characterized quantum-chemically in more detail.
