Quantum Simulation Technologies, Inc. and Showa Denko K.K., collaborated on the development of a new capability for QSimulate’s quantum simulation platform (QSP Materials) for materials development, which reduced the experienced researcher’s workload by more than half.

The new module automates the search for the most stable structure of chemical compounds, which is the key to uncovering the materials properties. Compounds with coordination bonds that are known to be challenging can be simulated using this module. Compared to a conventional, manual search, this new method has a 3x higher probability to predict the most stable structures while taking only 45% of the time used in the manual approach.

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https://qsimulate.com/news/Most_stable_structures_of_chemical_compounds