Predict Winning Formulations Before
Costly Lab Work
Compular helps teams predict material properties faster using multiscale modelling and AI, cutting experimental costs and accelerating innovation.
Free credits, no payment card details required.
Trusted by
Trusted by
Trusted by
Trusted by
Sébastien Fantini
Solvionic
“Together with Compularlab, we developed a white paper showing how accurate electrolyte data improves lithium-ion cell simulations under demanding conditions. A valuable collaboration.”
Alessandro Innocenti
Postdoctoral researcher - ZSW-BW
“Even with advanced characterization and high-quality cycling data, physical battery models are only as good as their electrolyte transport properties. Compular makes these parameters easily accessible, without long and complex experiments.”
Dr. Adriana Navarro-Suárez
R&D Manager - Morrow Batteries
Compular’s molecular dynamic simulations have helped us screening electrolytes for our LNMO-based batteries. These simulations will pave the way to finding the perfect electrolyte for each application.
Dr. Matteo Ambrossetti
Materials Engineer - Northvolt
“More important than generating molecular dynamics simulations is bridging the gap between simulations and experimental findings. Compular’s analysis tools close this gap in a new revolutionary way.”
Sébastien Fantini
Solvionic
“Together with Compularlab, we developed a white paper showing how accurate electrolyte data improves lithium-ion cell simulations under demanding conditions. A valuable collaboration.”
Alessandro Innocenti
Postdoctoral researcher - ZSW-BW
“Even with advanced characterization and high-quality cycling data, physical battery models are only as good as their electrolyte transport properties. Compular makes these parameters easily accessible, without long and complex experiments.”
Dr. Adriana Navarro-Suárez
R&D Manager - Morrow Batteries
Compular’s molecular dynamic simulations have helped us screening electrolytes for our LNMO-based batteries. These simulations will pave the way to finding the perfect electrolyte for each application.
Dr. Matteo Ambrossetti
Materials Engineer - Northvolt
“More important than generating molecular dynamics simulations is bridging the gap between simulations and experimental findings. Compular’s analysis tools close this gap in a new revolutionary way.”
Sébastien Fantini
Solvionic
“Together with Compularlab, we developed a white paper showing how accurate electrolyte data improves lithium-ion cell simulations under demanding conditions. A valuable collaboration.”
Alessandro Innocenti
Postdoctoral researcher - ZSW-BW
“Even with advanced characterization and high-quality cycling data, physical battery models are only as good as their electrolyte transport properties. Compular makes these parameters easily accessible, without long and complex experiments.”
Dr. Adriana Navarro-Suárez
R&D Manager - Morrow Batteries
Compular’s molecular dynamic simulations have helped us screening electrolytes for our LNMO-based batteries. These simulations will pave the way to finding the perfect electrolyte for each application.
Dr. Matteo Ambrossetti
Materials Engineer - Northvolt
“More important than generating molecular dynamics simulations is bridging the gap between simulations and experimental findings. Compular’s analysis tools close this gap in a new revolutionary way.”
Compular helps material developers and researchers accelerate the creation of new chemicals and formulations using physics-based simulations. Our software, Compular Lab, predicts properties enabling rapid digital screening of hundreds of formulations before lab testing. We have simplified workflows that once required specialist expertise, allowing any R&D engineer to progress projects with minimal onboarding.
Compular helps material developers and researchers accelerate the creation of new chemicals and formulations using physics-based simulations. Our software, Compular Lab, predicts properties enabling rapid digital screening of hundreds of formulations before lab testing. We have simplified workflows that once required specialist expertise, allowing any R&D engineer to progress projects with minimal onboarding.
Compular helps material developers and researchers accelerate the creation of new chemicals and formulations using physics-based simulations. Our software, Compular Lab, predicts properties enabling rapid digital screening of hundreds of formulations before lab testing. We have simplified workflows that once required specialist expertise, allowing any R&D engineer to progress projects with minimal onboarding.
Other Tools
Complex setup and fragmented workflows
Requires specialized computational chemistry expertise
Heavy HPC / GPUs infrastructure needed
Time-consuming simulation + analysis pipelines
High cost and steep learning curve
Compular Lab
All-in-one platform from materials to system level
Designed for users without computational background
Cloud-based
Automated workflows
Faster R&D cycles with higher success rates
Other Tools
Complex setup and fragmented workflows
Requires specialized computational chemistry expertise
Heavy HPC / GPUs infrastructure needed
Time-consuming simulation + analysis pipelines
High cost and steep learning curve
Compular Lab
All-in-one platform from materials to system level
Designed for users without computational background
Cloud-based
Automated workflows
Faster R&D cycles with higher success rates
Other Tools
Complex setup and fragmented workflows
Requires specialized computational chemistry expertise
Heavy HPC / GPUs infrastructure needed
Time-consuming simulation + analysis pipelines
High cost and steep learning curve
Compular Lab
All-in-one platform from materials to system level
Designed for users without computational background
Cloud-based
Automated workflows
Faster R&D cycles with higher success rates
Build for Complex Industries
From chemicals to advanced materials, Compular empowers teams to test and predict new formulations digitally.
Build for Complex Industries
From chemicals to advanced materials, Compular empowers teams to test and predict new formulations digitally.
Discover materials smarter & faster
Faster R&D via digital screening
Reduce R&D time dramatically with advanced simulations and AI that replace slow trial-and-error processes.
Relevant performance properties
Quickly obtain accurate predictions of key material behaviors.
User-friendly interface & automated workflows
Streamlined tools let you run simulations efficiently with minimal setup.
Accessible to non-experts
Advanced simulations are easy to use, even without a background in computational chemistry.
Research-backed
Built on years of groundbreaking work at Chalmers University, ensuring scientific rigor and reliability.
Faster R&D via digital screening
Reduce R&D time dramatically with advanced simulations and AI that replace slow trial-and-error processes.
User-friendly interface & automated workflows
Streamlined tools let you run simulations efficiently with minimal setup.
Relevant performance properties
Quickly obtain accurate predictions of key material behaviors.
Accessible to non-experts
Advanced simulations are easy to use, even without a background in computational chemistry.
Research-backed
Built on years of groundbreaking work at Chalmers University, ensuring scientific rigor and reliability.
Accelerate Materials Discovery with Compular Lab
Compular Lab is a cloud platform that accelerates materials R&D by simulating and analyzing chemical systems.
Input compositions
The user simply specifies the system composition, physical conditions and target properties to be predicted.
Run advanced simulations
The simulations are automatically submitted to our compute cloud and dispatched to hardware optimized for each job.
Visualise results
Based on the material properties requested by the user, an automatic dashboard will be generated to visualize the results in a default presentation.
Accelerate Materials Discovery with Compular Lab
Predict material properties faster and more cost-effectively than traditional experimentation.
Free credits, no credit card required
Formulation explorer
Explore and fine-tune liquid formulations within seconds using chemistry aware machine learning models trained on experimental data.
Electrochemical Stability
Quickly assess molecular stability under redox conditions by predicting HOMO/LUMO levels, estimating redox potentials, and visualizing reaction products.
Electrochemical Stability
Quickly assess molecular stability under redox conditions by predicting HOMO/LUMO levels, estimating redox potentials, and visualizing reaction products.
Molecular Interactions
Analyze interactions between two molecules (or ions) by simulating varying distances and tracking property changes.
Electrolyte properties
Simulate bulk multi-component electrolytes using molecular dynamics and in-house tools, and get properties such as viscosity, conductivity, diffusion, solvation, coordination, and HOMO–LUMO gaps.
Battery Simulations
Simulate full battery cell performance using pseudo-2D (P2D) modeling via PyBaMM with built-in parameter sets. Customize electrolyte transport properties from other modules, run multiple simulation modes, and optimize formulations
Molecular bank
The Molecule Bank is a database of molecules. Simply enter a SMILES string, and we will automatically retrieve the corresponding molecule for you.
Molecular bank
The Molecule Bank is a database of molecules. Simply enter a SMILES string, and we will automatically retrieve the corresponding molecule for you.
Accelerate Materials Discovery with Compular Lab
Predict material properties faster and more cost-effectively than traditional experimentation.
Free credits, no credit card required
Formulation explorer
Explore and fine-tune liquid formulations within seconds using chemistry aware machine learning models trained on experimental data.
Electrochemical Stability
Quickly assess molecular stability under redox conditions by predicting HOMO/LUMO levels, estimating redox potentials, and visualizing reaction products.
Electrochemical Stability
Quickly assess molecular stability under redox conditions by predicting HOMO/LUMO levels, estimating redox potentials, and visualizing reaction products.
Molecular Interactions
Analyze interactions between two molecules (or ions) by simulating varying distances and tracking property changes.
Electrolyte properties
Simulate bulk multi-component electrolytes using molecular dynamics and in-house tools, and get properties such as viscosity, conductivity, diffusion, solvation, coordination, and HOMO–LUMO gaps.
Formulation explorer
Explore and fine-tune liquid formulations within seconds using chemistry aware machine learning models trained on experimental data.
Electrochemical Stability
Quickly assess molecular stability under redox conditions by predicting HOMO/LUMO levels, estimating redox potentials, and visualizing reaction products.
Molecular Interactions
Analyze interactions between two molecules (or ions) by simulating varying distances and tracking property changes.
Electrolyte properties
Simulate bulk multi-component electrolytes using molecular dynamics and in-house tools, and get properties such as viscosity, conductivity, diffusion, solvation, coordination, and HOMO–LUMO gaps.
Battery Simulations
Simulate full battery cell performance using pseudo-2D (P2D) modeling via PyBaMM with built-in parameter sets. Customize electrolyte transport properties from other modules, run multiple simulation modes, and optimize formulations
Molecular bank
The Molecule Bank is a database of molecules. Simply enter a SMILES string, and we will automatically retrieve the corresponding molecule for you.
Learn how to make modelling actually useful
Level up your skills with educational course developed by modelling experts.
Free Educational Course
5 Mistakes Preventing Experimentalists from Getting Value from Simulations
What You’ll Gain From This Course
Sharpen experiments without replacing them
Cut down unnecessary trial-and-error
Use simulations as a guide for the next experiment
Focus lab time on the most promising options.
Start Learning now
Free Educational Course
5 Mistakes Preventing Experimentalists from Getting Value from Simulations
5 Mistakes Preventing Experimentalists from Getting Value from Simulations
What You’ll Gain From This Course
Sharpen experiments without replacing them
Cut down unnecessary trial-and-error
Use simulations as a guide for the next experiment
Focus lab time on the most promising options
Frequently Asked Questions
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Do I need design or coding experience to use this?
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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.