Fluid Phase Equilibria calculations
Multiphase, multimodel flash calculations with multiple states (solid, liquid, vapor) and a large number of phases including robust stability analysis. The experience dealing with hard systems both physically and numerically instable.
Custom Software
Custom software to deliver models in an easy to use package for the end users. One click software stack without the need to run an installer, allowing you to iterate/improve it extremely fast with a painless delivery to your endusers within your company. Imagine, wrapping your models and database with a nice and fast GUI allowing your models to be widely used within your company.
Property Prediction and Regressions
Predicting properties is nice, regressing your own parameter set based on your own set of validated experimental data is better. Even better, getting from your validated experimental data to predicting properties for new molecules based on your new model within 5 minutes.
Cheméo, Search in Experimental Data
Cheméo is your best source of experimental data together with property prediction tools. Cheméo can run as pure indexer of your database as both a standalone database and indexer.
Cheméo is available as in-premise solution and soon with a SaaS subscription.
How We Work
Your experts have domain insights and knowledge of your company operations and core business. We work with them to faster disseminate this expertise to your company engineers. This makes your engineers faster in developing new projects, debottlenecking, ensuring performance of your systems and correctly reporting to the hierarchy.
We can do that because we have both strong chemical engineering knowledge and software development expertise. We create clean, easy to use and robust solution which can be used by the engineers easily. This improves the impact of your experts within your company.
Examples of Services
A selection of representative work, across very different industries and problem types.
Process modeling and thermodynamics
- Multiphase flash and phase-equilibrium solvers (several phases with wax, hydrates, salts and ice, plus stability analysis), delivered as user-added subroutines in simulators such as PRO/II for oil and gas.
- Fitting and discovering property correlations from data, including acid-gas (CO2 and H2S) absorption, with regression, genetic algorithms and symbolic regression.
- Extending group-contribution methods (UNIFAC) to molecules they were never built for, for novel specialty chemicals such as flavors and fragrances.
- Dynamic process models of unit operations and whole plants, with black-box parameter estimation and system identification.
Advanced process control
- Model-predictive control from single units to plant-wide coordination, built on a reusable in-house MPC framework, with a training bench for tuning and operator confidence.
- Controllers wired to the live plant through OPC-UA, MQTT, DCS and SCADA historians and PLCs, reading tags and writing setpoints in real time.
Machine learning, computer vision and data science
- Real-time vision systems for product and process inspection on a reusable camera and vision framework, with GPU-accelerated inference at the edge.
- Anomaly detection on process signals and operational logs.
- Soft sensors and inline analytics from near-infrared (NIR) spectroscopy.
- Property and quality prediction with machine learning, shipped with uncertainty estimates.
- LLM-assisted automation that turns operational text (emails, logs, reports) into structured data and actions.
Operator interfaces and monitoring
- Real-time HMIs and KPI dashboards for multi-site operations.
Platforms and integration
- Custom scientific desktop software (model and database front-ends, formulation and property-prediction suites) on Windows and Linux.
- Cloud platforms for heavy scientific computation: job submission, scheduling, results and billing.
- Full process-simulation engines pairing modern interfaces with proven Fortran cores.
Standards, security and strategy
- Compliance and interoperability test suites for industrial software standards (CAPE-OPEN, COBIA).
- NIS2 readiness for a large industrial company: gap analysis, risk assessment, security measures, incident reporting and governance.
- Plant digitalization strategy and factory/site acceptance-test (FAT/SAT) frameworks.
Our Software Stack
To efficiently create software for your company, we need to maintain a high quality software stack and expertise in using it.
- Operating Systems: Windows, Linux (Debian/Ubuntu).
- Compilers: Intel oneAPI (Fortran and C/C++), GNU GCC and GFortran, LLVM/Clang.
- Numerical Libraries: Intel oneAPI Math Kernel Library (MKL), LAPACK, BLAS.
- Languages: Fortran (legacy 77 to modern), C, C++, Julia, Python, Java, C#, Delphi, Go, SQL, TypeScript, JavaScript, HTML, CSS.
- Machine Learning and AI: PyTorch, scikit-learn, NumPy and pandas, RDKit, large language models.
- Industrial Connectivity: OPC-UA, MQTT, DCS and SCADA historians, PLC integration.
- Cloud and Infrastructure: AWS (EC2, S3, IoT), Docker, CI/CD.
- Frameworks: React, FastAPI, .NET/WPF, Qt.
- Databases: PostgreSQL, SQLite.
What You Get
Trust and transparency in the work is critical. As a customer, you get access to a special page with a current status of the work, the latest packages to download and a detailed worklog. From the logs, you know when and for what we worked, every single day from the beginning of the project. The time tracking information are directly pulled from the software running on our computers, and yes, you will notice that a coffee break is effectively stopping the counter...