Solution
QuantistryLab for Metals, Alloys & Ceramics
To optimize key properties of alloys, metals, and ceramics, manufacturers often rely on rare and costly elements. Finding abundant substitutes that retain these properties is key for sustainability and supply chain stability. QuantistryLab’s multiscale simulations enhance the identification of these alternatives, helping to tackle these crucial R&D challenges.
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.
Material Discovery
Defects and Dopants
Structural defects and dopants can greatly influence the properties of alloys and metal-based systems, making their identification and analysis crucial. QuantistryLab’s holistic simulation approach quantifies these effects, providing invaluable insights into material performance.
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Bottom-Up Design
Alloy Screening
The estimation of mechanical, electronic, and thermodynamic properties is vital for a wide spectrum of sectors. Use QuantistryLab to systematically screen and predict these parameters for various alloy compositions and structures in a fully automated way.
High-Temperature Metal Systems
Complex Models and Dynamics
By simulating the kinetic behavior of metals and alloys, QuantistryLab provides efficient and reliable estimations of key dynamical descriptors such as segregation energies and dislocation processes. Grain boundary behavior and surface interactions become accessible with just a few clicks.
From Quantum to AI
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
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.
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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.
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Use-Case
Screening of Alloy Compositions
Fine-tune the properties of your alloys by screening different compositions, dopants, as well as ordered and disordered phases. With the help of our simulations you can develop a better understanding of the effects of the structural variations on key parameters like electrical conductivity, mechanical properties or thermal behaviour.