Chemical Engineering
Paramus Polymer brings computational chemistry, ML models, and domain ontologies together to accelerate polymer development with chemically verified workflows rather than generic AI output.
Enter copilot, openAI and Claude for polymer scientists: real structure handling, validated reaction chemistry, and predictive models spanning kinetics, rheology, and thermo-mechanical behavior.
The best of both worlds: large-language-model capability fused with chemical exactness for real polymer design and validated structure–property prediction.
Paramus CENG
The Paramus.ai Polymer Chemistry Solution accelerates polymer discovery through AI-powered models and predictive analytics.
from $899 USD*
* named user, per year, terms apply.
Order here:
Included
The chemical engineering package from Paramus contains:
Models
Process Simulation & Optimization
Modelica simulation for multi-domain systems (mechanical, thermal, fluid)
CAPE-OPEN process simulator: flash, VLE/LLE, unit operations
Chemical equilibrium & kinetics via Gibbs energy minimization
Bayesian optimization for experimental design & process tuning
Automatic reaction mechanism generation for combustion & pyrolysis
Data
Datasets (Chemical Engineering)
Open-access crystal structures for organic/inorganic compounds
134k organic molecules: HOMO, LUMO, gaps, dipole, Cv
QM9 + IR, Raman, UV-Vis spectra and tensorial properties
76 molecules with CCSD(T)/CBS atomization energies
Cyclic voltammetry experiments with metadata
Redox potentials and reaction energies
Electrolyte conductivity and transport properties
Simulation & HPC
CFD, Molecular Dynamics & Quantum Chemistry
CFD toolbox: incompressible/compressible flow, turbulence, multiphase
Industrial CFD by EDF: Navier-Stokes, heat transfer, multiphase
Polydisperse multiphase flows via quadrature-based moment methods
Large-scale molecular dynamics for materials & fluids
MD engine for periodic systems with GPU acceleration
Semi-empirical QC (GFN2-xTB) for fast thermochemical screening
Python interface to DFT/MD codes and workflow orchestration
DoE & Workflows
Flowsheeting, Design of Experiments, Reactor Data
Block-diagram process simulation and flowsheeting
Design of experiments and process data analysis
Reactor time-series capture, DB and UI
5 process simulators (OpenModelica, DWSIM, Reaktoro, BoFire, RMG), 7 CFD/MD engines (OpenFOAM, Code_Saturne, OpenQBMM, LAMMPS, GROMACS, xTB, ASE), 7 datasets (COD, QM9, QM9S, MSR-ACC/TAE25, echemdb CVs, RedDB, CALiSol-23) and 3 workflow apps (PathSim, process-improve DOE, Reactor Timeseries) – all local under PARAMUS OS.
Yes. PathSim runs block-diagram process simulations, process-improve DOE plans and analyzes experimental designs, and DWSIM/BoFire cover steady-state flowsheeting and Bayesian optimization.
No. All simulators, CFD engines and datasets run locally on CPU under PARAMUS OS. No cloud account – your process data stays on your machine.
echemdb CVs (cyclic voltammetry with metadata), RedDB (redox potentials and reaction energies) and CALiSol-23 (electrolyte conductivity and transport properties), all queryable as deterministic tools.
Through the Model Context Protocol (MCP). Claude Desktop, VS Code or Cursor call the tools directly: flowsheeting, CFD case setup, DoE analysis, dataset lookups.