Your enterprise computational chemistry software platform
In silico testing powered by physics-based atomistic models, data-driven science, and high performance computing in the cloud
Faster innovation
Faster innovation
Reduced time by x5 compared to using only experimental laboratory
Surface and interface phenomena
Surface and interface phenomena
In addition to bulk properties, NEXTMOL Lab is specialized in calculating physico-chemical properties related to surface and interface phenomena
High-throughput screening
High-throughput screening
NEXTMOL Lab calculates in an automated way a large number of candidate molecules on the latest HPC hardware
Large and complex formulations
Large and complex formulations
NEXTMOL Lab can characterize formulations with millions of atoms to understand the interactions between the different ingredients
Bio-based chemistries
Bio-based chemistries
NEXTMOL Lab can characterize bio-based chemistries at high accuracy to replace fossil-based chemicals by bio-based alternatives
Scalable R&D
Scalable R&D
NEXTMOL Lab facilitates digital R&D to expand current laboratory capacity with computational techniques for testing an unlimited number of molecules
Reduced cost
Reduced cost by x9 compared to using only experimental laboratory
Products
MODELING Compute
MODELING Builder
PREDICT
- New molecules are directly characterized in the computer
- Characterize large and complex systems (such as formulations)
- Obtain deep insights about the behavior and mode of action of the molecules
- End-to-end: Create molecules, build systems, create workflows, execute jobs, analyze results
POLYMERS
- Characterize complex polymers and blends
- Many different classes of traditional and bio-based polymers
- In a wide range of thermodynamic conditions
- Calculate glass transition temperature, radius of gyration, persistence length, solubility, density, viscosity, adsorption, Young’s modulus, hardness, friction coefficient, among other properties.
SURFACTANTS
- Study a wide range of surface and interface phenomena, such as adsorption affinity, or formation of self-assembled surface films and micelles
- Characterize collective effects of adsorbed molecules and competition for the surface
- Study synergistic and antagonistic effects in formulations
- Calculate adsorption rate and energy, aggregation/dispersion, surface tension, interfacial tension, solubility, density, viscosity, diffusion, among other properties.
Easy-to-adopt
Design new chemicals faster and easier than ever before
No computational chemistry skills are required to use the platform
NEXTMOL Lab is ISO 27001 certified
We are ISO 27001 certified in information security and follow best security practices to protect all processes carried out on the software platform.
