To enable materials innovation in today’s face-paced environment, access to a computational chemistry software covering the entire hierarchy of material scales is essential. Simcenter uniquely includes all relevant aspects of computational chemistry: from quantum to molecular and coarse-grained modeling, to informatics and thermodynamics.
It enables realistic models for simulations through scripted workflows that facilitate a data flow of parameters from quantum models all the way to the continuum level. This, combined with a comprehensive computational library, ensures that physical parameters are derived with great accuracy and enables materials innovation across all length and time scales.
