AI-driven R&D · AI for Science
R&D simulated by cutting-edge AI algorithms
SEMPURION brings AI for Science into high-purity process chemistry R&D: a 'virtual lab' of machine learning, generative models and computational-chemistry simulation, validated in wet experiments — accelerating formulation and process iteration.
AI algorithms across the R&D workflow
Models trained on historical experiment & process data to predict cleaning power, material compatibility and performance windows.
Generative AI designs molecules/components toward target performance, expanding the viable formulation space.
Large-scale computational screening ranks candidate systems, cutting wasted wet experiments and focusing the best route.
DFT, molecular dynamics and multiphysics simulation explain cleaning, etching and stripping from the mechanism up.
Formulation and process parameters become a digital twin, iterated closed-loop with Bayesian optimization toward autonomy.
Experiment–compute–ML data loops turn every run into reusable model assets, compounding R&D capability.
From molecular simulation to the bench
Once AI simulation points the way, we synthesize and validate cleaning, selectivity, corrosion and residue in a clean R&D lab, calibrating the process so every simulated route lands in real manufacturing.
- Real R&D siteClean R&D labs with e-grade water and precision testing
- Full validationFormulation → lab → pilot → production validation
- Data back to modelsResults feed back into the AI models for a compounding loop
Mission-driven formulation R&D for semiconductor, display and optical processes, with custom development on request.
Low-sodium, low-ionic-residue formulations engineered for cleanliness in advanced packaging and display lines.
Cleaning power comes from engineered synergy of surface tension, solubility, chelation and corrosion control.
Many grades benchmarked against Entegris, ZESTRON, Kanto and others — local alternatives.
From requirement to production
Quality control & compliance
- Batch consistencyControlled formulation and process, batch QC before release for stable customer processes
- Ionic residue controlLow-sodium / low-metal-ion formulations for electronic processes
- Safety & complianceFull MSDS, hazard classification and exposure guidance, compliant logistics
- EnvironmentHalogen-free, phosphorus-free, low-VOC evolution for green manufacturing
Organization & Facilities
Formulation R&D for precision processes
Application training & field support
Batch QC & e-grade purity control
Customer engagement & after-sales
Full-chain control from formulation to production, enabling customization and fast sampling.
Material-batch-shipment traceability with third-party testing (RoHS/VOC/halogen).
Partnership with universities and institutes to stay at the forefront.