Discover the materials of tomorrow, today.

It's getting harder to bring new material and chemical products to market, with some estimates saying that 60% of development costs go to waste. Leverage computational chemistry to explore white space opportunities for growth, improve performance of candidate materials to command a premium, boost R&D efficiency by reducing experimental costs, and accelerate innovation by delivering concept prototypes faster.


Digitizing discovery
and development

Accelerate the discovery and development of new materials with powerful tools and insights. Our platform enables rapid exploration and optimization of new materials, backed by advanced algorithms that accurately predict material properties, saving time and cost associated with experimental testing.
Join us in revolutionizing the materials science industry and bringing new materials to market faster than ever before.
graphic capabilities

Our Workflows

Learn how Promethium can help with these materials science workflows

Interaction energy decomposition

Determine the physical origin of noncovalent interactions using symmetry-adapted perturbation theory.
Interaction energy decomposition

Chemical reaction prediction

Predict the activation energy, transition state, and enthalpy for a reaction using the reactant and product structures.
Chemical reaction prediction

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.
Molecule characterization

Our industries

Chemistry simulation has
many applications across many industries

  • Organic Electronics
  • Semiconductors
  • Catalysts
  • Polymers
  • Metals, Alloys, Ceramics
  • Energy Storage
  • Catalysts
Medical Devices
  • Polymers
  • Polymers
  • Metals, Alloys, Ceramics
Consumer Packaged Goods
  • Polymers
  • Formulations
  • Water treatment
  • Waste management
  • Air purification

Sign up today to get
20 free hours of NVIDIA A100 compute!