World’s Most Intuitive Cloud-Native Chemical Simulation Platform.

Boost Your R&D With QuantistryLab

Our dynamic cloud-native chemical simulation platform redefines R&D with its holistic computational approach, seamlessly integrating quantum technologies, physics-based simulations, and AI. With customized Use-Case modules and Click & Simulate technology, QuantistryLab advances the optimization, discovery, and design of chemicals and materials.

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Choose Your Use-Case Module

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.

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Electrode materials
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Electrolyte components and formulations
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Electrode-electrolyte processes
Electrode Screening
Property Predictions
Electrolyte Screening
Electrolyte Stability
SEI Simulations
Coating Effects
Material Optimization
Material Design
Structure Explorer
Defects & Doping
Enviromental Effects
Ion Diffusion
Conductivity
Environmental Effects

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.

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High-throughput screening
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Temperature and thermodynamics
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Complex models and dynamics
Alloy Screening
Density of States
Surface Processes
Segregation Energies
Mechanical Properties
Thermodynamics
Convex-Hull Profiling
Conductivity
Structure Explorer
Dislocation Processes
Temperature Effects
Ion Diffusion
Dynamical Behaviour
Alloy Optimization
Defects & Doping

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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Heterogeneous catalysis
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Reactivity and characterization
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Material space screening
Homogenous
Heterogeneous
Structure Explorer
Defects & Doping
Reaction Explorer
Dynamical Behaviour
Reaction Discovery
High-Throughput
Spectral Fingerprints
Surface Processes
Enviromental Effects

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.

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Reaction discovery and pathway characterization
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Machine-learning-based retrosynthesis and product prediction
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Temperature-dependent spectral fingerprinting
Homogenous
Heterogeneous
Structure Explorer
Defects & Doping
Reaction Explorer
Dynamical Behaviour
Reaction Discovery
High-Throughput
Spectral Fingerprints
Surface Processes
Enviromental Effects

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.

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Material discovery and optimization
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Electronic features
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Optical response
Material Space Explorer
Density of States
Thermodynamics
Defects & Doping
Material Design
Material Optimization
Material Stability
Spectrum Analyzer
Spectral Fingerprints

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.

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Cross-linking and environmental effects
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Stability and reactivity
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Adhesion on surfaces and organic matrices
Cross-Linking Effects
Molecular Diffusion
Property Predictions
Mechanical Properties
Glass Temperature
Dynamical Behaviour
Environmental Effects
Viscosity
Thermal Properties
Conductivity
Chemical Stability
Heat Capacity
Transport Properties

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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Formulation Optimization and Screening
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Surface adhesion and surface processes
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Stability and reactivity
Cross-Linking Effects
Molecular Diffusion
Property Predictions
Mechanical Properties
Glass Temperature
Dynamical Behaviour
Environmental Effects
Viscosity
Thermal Properties
Conductivity
Chemical Stability
Heat Capacity
Transport Properties
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IQM LogoAirbus LogoIBB Ventures LogoEuropean Regional Development Fund LogoStart-Up Scale Program - by Digital HubExist Logode:hub Digital Ecosystem Logo5-HT Digital Hub Chemistry & Health LogoFederal Ministry for Economic Affairs and Climate Action of Germany Logo

Unleash the Power of Leading-Edge Technology

Multiscale Simulations

Move beyond traditional chemical simulation software and embrace the sleek design of QuantistryLab. Perform quantum chemistry calculations or investigate the big picture with atomistic multiscale modeling. Drag&Drop, Click&Simulate to focus on what matters most: your R&D success.

Machine Learning and AI

We are tirelessly pushing the boundaries of machine learning to help you quickly sift through a vast array of material candidates, estimate key descriptors, and optimize existing formulations. Our cutting-edge machine learning tools will further enhance your R&D by enabling AI-driven design and predictions.

Quantum Computing

Advancing quantum simulations requires significant development and multiple breakthroughs, but we are committed to this journey. From battery materials to alloys, from hydrogen fuel cells to carbon capture, we are forging strong collaborations with key players in quantum technologies to deliver quantum advantage at your fingertips.

The New Way to R&D

Accessibility

All you need is a web browser. Harness the power of multiscale atomistic simulations. No coding, no hassle.

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.

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