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QuantistryLab for Catalysis and Hydrogen Fuel Cells
Catalysis and hydrogen fuel cells play a vital role across industries, such as transportation and renewable energy. QuantistryLab provides invaluable support for addressing critical challenges in these fields by enabling material space screening and the rationalization of catalytic processes.
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.
Heterogeneous Catalysts
High-Throughput Screening
Screen catalysts as a function of composition, dopant nature and amount. Rationalize the structure-property relationship through key descriptors, such as reaction and adsorption energetics, adhesion and diffusion dynamics.
Hydrogen Fuel Cells
Catalysis and Reactivity
Optimize the electronic structure of catalysts. Rationalize and enhance catalyst efficiency for fundamental reactions involving hydrogen and oxygen. Predict reaction pathways, activation energies, and the effects of surface modifications.
Hydrogen Storage
Uptake and Release
Explore the interplay between hydrogen and storage materials. Simulate adsorption energies, storage capacities, and the reversibility of hydrogen uptake and release. Gain insights into the energetics of hydrogenation and dehydrogenation processes.
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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
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.
