Discover the materials of tomorrow, today
Know how a material will behave before you ever make it. Promethium resolves the electronic structure, interaction energies, and conformational behavior that govern real-world performance across polymers, catalysts, organic electronics, and formulations, so you can rank candidates on first-principles evidence and take only the most promising ones into the lab.
The Platform
Quantum-accurate property prediction for real-world systems
Predict electronic, structural, and energetic properties with quantum-level accuracy, so you can screen candidate materials computationally and advance the highest-potential candidates to experimental validation.
Run the same first-principles methods across polymers, catalysts, organic electronics, and formulations, on systems large enough to reflect the real material.
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Key Workflows
Computational chemistry workflows built for materials discovery
Interaction energy decomposition
Determine the physical origin of noncovalent interactions using functional-group symmetry-adapted perturbation theory (F-SAPT).
Chemical reaction prediction
Predict the activation energy, transition state, and enthalpy for a reaction using the reactant and product structures.
Molecule characterization
By analyzing the patterns and energies of a molecules transitions between ground states and excited states, you can gain insight into the molecular structure, electronic configuration, and optical properties of a molecule.
Our industries
Quantum chemistry simulation across industries
Electronics
- Organic Electronics
- Semiconductors
Automotive
- Catalysts
Aerospace
- Polymers
- Metals, Alloys, Ceramics
Energy
- Energy Storage
- Catalysts
Medical Devices
- Polymers
Construction
- Polymers
- Metals, Alloys, Ceramics
Consumer Packaged Goods
- Polymers
- Formulations
Environmental
- Water treatment
- Waste management
- Air purification
Predict Material Properties Before You Synthesize
Materials science teams use Promethium to screen candidates computationally, reducing synthesis cycles and accelerating discovery.