MoleculaPRO: Simulate Oil Recovery Without the Headaches.
Turn your ideas into runnable simulations in minutes. No coding, no obscure error messages—just a clear path from your molecules to reliable results.
Why MoleculaPRO?
We remove the friction that slows down oil-recovery and chemistry projects—so you focus on results, not technical roadblocks.
Your Data Stays Yours
All chemistry calculations run on your own server. We never send your molecules or results to the cloud—ideal for confidential or regulated work.
Fewer Errors, Less Tweaking
The platform automatically combines your molecules with rock and fluid models so everything fits together. No more hunting down cryptic “atom type not found” or file-format issues.
Stable, Ready-to-Run Setups
We detect electrical charge imbalances in your system and fix them automatically, so your simulations are set up correctly from the start and less likely to crash.
Build Your Experiment Layout Visually.
Tell us how you want your layers—rock at the bottom, then water, then oil, with additives at the interface. We place everything in the right order and at the right spacing so the simulation box is ready without manual number-crunching.
Example: layer order (bottom to top)
# Water layer Z: 42 Å – 92 Å
# Oil layer Z: 92 Å – 142 Å
# Surfactant Z: 82 Å – 102 Å (interface)
# Rock (Quartz) Z: 0 Å – 42 Å fixedFrom Setup to Stable Simulation.
No command line required. You choose the run type from the interface; we prepare the physics (energy minimization and equilibration) and check that your system is packed safely so runs don’t fail from bad starting positions.
What You Can Do
Typical uses of the platform.
Test Additives at the Oil–Water Interface
See how surfactants (e.g. SDBS or your own) change the tension between oil and water—key for designing better recovery chemicals.
Model Thickeners in Salty Water
Simulate how long-chain polymers behave in high-salinity brines, as in real reservoir conditions.
Study How Rocks Interact with Fluids
Explore how oil and water wet or detach from sandstone and carbonate surfaces—useful for understanding recovery and wettability.
How It Works
Add Your Molecules
Import chemical structures (formulas or 3D files) and preview them in 3D right away.
Build Simulation Settings
The system generates the physics parameters for your molecules and minerals automatically.
Arrange the Box
Define how rock, water, oil, and additives are stacked; we place them in the right positions.
Run the Simulation
Launch energy minimization and equilibration from the interface—no command line needed.