MESSAI for Software & Modeling Enthusiasts
Computational approaches to understand and optimize microbial electrochemical systems
Key Focus Areas
Mathematical Modeling
Computational Biology
Electrochemical Simulation
Multi-Physics Models
Parameter Estimation
Model Validation
Interactive Butler-Volmer Simulator
i = i₀[exp(αηF/RT) - exp(-(1-α)ηF/RT)]
Current Density: 4.9103 A/cm²
Your Current Challenges
Parameter Estimation
From incomplete experimental datasets
Multi-Scale Modeling
Bridging molecular to reactor-scale models
Model Validation
Validating across different scales and conditions
Reproducibility
Sharing and reproducing computational work
What MESSAI Offers Today
Butler-Volmer Simulator
Real-time parameter adjustment with kinetics visualization
3D Biofilm Animations
Electron transfer pathways and growth dynamics
Flow Visualizations
WebGL-powered fluid dynamics and mass transfer
Multi-Scale Interfaces
Seamless molecular to reactor modeling transitions
Model-Ready Data Infrastructure
687
Parameters
JSON/CSV
Structured Exports
Time-Series
Long-term Data
Validated
Benchmarking Sets
messai_integration.py
1import messai
2
3# Get parameters for your model
4params = messai.parameters.get_range(
5 parameter="power_density",
6 system_type="MFC",
7 scale="pilot"
8)
Interactive Visualizations
Biofilm Growth & Electron Transfer
Time: 0.0 hours | Growth Rate: 1.5 μm/h
COMSOL-Style Flow Simulation
Reynolds Number
10000
Mesh Elements
2,500
Residence Time
3.0 s
Current Capabilities in Action
Biofilm Modeling Support
- • Thickness measurements from 100+ studies
- • Conductivity values for different biofilm types
- • Growth rate parameters under various conditions
- • Validated diffusion coefficients
Electrochemical Kinetics
- • Butler-Volmer parameters for common catalysts
- • Exchange current densities database
- • Tafel slope comparisons
- • Overpotential predictions
System Optimization
- • Multi-objective optimization frameworks
- • Pareto front visualization tools
- • Constraint handling for practical limits
- • Real-world validation datasets
What Can Be Built for Your Needs
Near-Term Development (With Your Input)
Model repository: Share COMSOL/MATLAB/Python models
Parameter fitting tools: Automated calibration
Sensitivity analysis dashboard
Model validation framework
Integration Opportunities
API Endpoints
Programmatic data access
Jupyter Integration
Notebook analysis tools
COMSOL Import/Export
Direct parameter transfer
GitHub Integration
Version-controlled models
Getting Started
Technical Stack
Frontend
React + Three.js
Backend
Next.js + PostgreSQL
Compute
Python Analysis
Formats
JSON, CSV, HDF5