Our Technology
Boosting materials innovation with Simulations and AI
Free credits, no credit card details required
Our Technology
Boosting materials innovation with Simulations and AI
Free credits, no credit card details required.
Our Technology
Boosting materials innovation with Simulations and AI
Free credits, no credit card details required.
Our automated multi-scale modelling platform
1. Atomic Interactions
An automated quantum chemistry pipeline determines how atoms interact within and between atoms.
2. Molecular dynamics
Atomic motion is simulated over time in its liquid context in bulk, and near charged surfaces.
3.Dynamic speciation
Our patented method finds what sticks together, and calculates and explains liquid properties in terms of this. The dynamic species are the building blocks of chemical and electrochemical reactions as well as transport mechanisms.
4.Chemical reactions
Quantum chemistry is used to predict which bonds break in dynamic species and at which activation energy or electrochemical potential.
5.Device performance
By integrating the scales we can simulate device scale performance, shelf life and aging.
Our AI-layer for chemistry
1. Property prediction
At the core of our AI layer is a surrogate model,trained on Compular's growing library of simulated formulations. Properties that took weeks of compute can be predicted across the rest of the design space in seconds, with uncertainty estimates that tell users how far they are from solid ground.
2. Formulation optimizer
On top of the surrogate model sits a design loop that turns a natural language brief into a ranked shortlist of candidate formulations. The system proposes, scores, and refines across thousands of combinations the surrogate can evaluate cheaply, and hands the chemist a small set worth taking to the bench.
1. Atomic Interactions
An automated quantum chemistry pipeline determines how atoms interact within and between atoms.
2. Molecular dynamics
Atomic motion is simulated over time in its liquid context in bulk, and near charged surfaces.
3.Dynamic speciation
Our patented method finds what sticks together, and calculates and explains liquid properties in terms of this. The dynamic species are the building blocks of chemical and electrochemical reactions as well as transport mechanisms.
4.Chemical reactions
Quantum chemistry is used to predict which bonds break in dynamic species and at which activation energy or electrochemical potential.
5.Device performance
By integrating the scales we can simulate device scale performance, shelf life and aging.
Our automated multi-scale modelling platform
Our automated multi-scale modelling platform
1. Atomic Interactions
An automated quantum chemistry pipeline determines how atoms interact within and between atoms.
2. Molecular dynamics
Atomic motion is simulated over time in its liquid context in bulk, and near charged surfaces.
3.Dynamic speciation
Our patented method finds what sticks together, and calculates and explains liquid properties in terms of this. The dynamic species are the building blocks of chemical and electrochemical reactions as well as transport mechanisms.
4.Chemical reactions
Quantum chemistry is used to predict which bonds break in dynamic species and at which activation energy or electrochemical potential.
5.Device performance
By integrating the scales we can simulate device scale performance, shelf life and aging.
Our AI-layer for chemistry
1. Property prediction
At the core of our AI layer is a surrogate model,trained on Compular's growing library of simulated formulations. Properties that took weeks of compute can be predicted across the rest of the design space in seconds, with uncertainty estimates that tell users how far they are from solid ground.
2. Formulation optimizer
On top of the surrogate model sits a design loop that turns a natural language brief into a ranked shortlist of candidate formulations. The system proposes, scores, and refines across thousands of combinations the surrogate can evaluate cheaply, and hands the chemist a small set worth taking to the bench.
Our AI-layer for chemistry
1. Property prediction
At the core of our AI layer is a surrogate model,trained on Compular's growing library of simulated formulations. Properties that took weeks of compute can be predicted across the rest of the design space in seconds, with uncertainty estimates that tell users how far they are from solid ground.
2. Formulation optimizer
On top of the surrogate model sits a design loop that turns a natural language brief into a ranked shortlist of candidate formulations. The system proposes, scores, and refines across thousands of combinations the surrogate can evaluate cheaply, and hands the chemist a small set worth taking to the bench.
Frequently Asked Questions
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What is Compular Lab?
How does Compular Lab help material development?
Who can use Compular Lab?
What types of material properties can Compular Lab analyse?
Can you simulate multi-component systems such as electrolytes or complex formulations?
Can you simulate electrolytes as a function of temperature and voltage?
Do you provide molecular-level insights?
Does Compular Lab run simulations automatically?
Is there a demo or trial version available?
What makes Compular Lab different from traditional material R&D?
Frequently Asked Questions
Frequently Asked Questions
What is Compular Lab?
How does Compular Lab help material development?
Who can use Compular Lab?
What types of material properties can Compular Lab analyse?
Can you simulate multi-component systems such as electrolytes or complex formulations?
Can you simulate electrolytes as a function of temperature and voltage?
Do you provide molecular-level insights?
Does Compular Lab run simulations automatically?
Is there a demo or trial version available?
What makes Compular Lab different from traditional material R&D?
Accelerate materials discovery
with AI & multiscale simulations.
Compular turns complex molecular design into fast, reliable predictions, helping researchers innovate and drive sustainable solutions.
Accelerate materials discovery
with AI & multiscale simulations.
Compular turns complex molecular design into fast, reliable predictions, helping researchers innovate and drive sustainable solutions.