Structure optimization of new materials for materials science using 'Gaussian'

A cutting-edge electronic state calculation program that supports the exploration of new materials.

In the field of materials science, atomic-level property predictions are required for the development of new materials with novel functions. Particularly, understanding the properties of unknown materials in advance can lead to reduced development costs and shortened development periods. However, it is challenging to efficiently evaluate the vast number of candidate materials using only traditional experimental methods. The chemical calculation software "Gaussian" provides cutting-edge techniques for electronic state calculations and computational chemistry models, supporting the resolution of these challenges in the search for new materials. 【Usage Scenarios】 - Structural optimization of new materials - Prediction of electronic states and properties of materials - Catalyst development through reaction pathway analysis - Evaluation of material stability 【Benefits of Implementation】 - Increased efficiency through narrowing down candidate materials - Reduction in the number of experimental verifications - Improved accuracy in predicting material properties - Shortened research and development cycles

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