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[Blog] Making material simulation more accessible. Introduction to "Advance/NanoLabo" and a beginner's guide to the calculation engine.

アプライド

In materials development and nanoscale research, the limitations of "trial-and-error development relying solely on conventional experiments" and the "dramatic evolution of computational techniques" have led to an increasing importance of "first-principles calculations" and "molecular dynamics simulations" day by day. The effects obtained through simulations include: - Dramatic reduction in development time and costs - Understanding atomic and electronic-level behaviors that are "invisible" in experiments - Integration with materials informatics (MI) - Considerations for sustainability and environmental and safety constraints However, for those who want to start simulations, the reality is that operating simulation software, creating input files, and setting up the environment present significant hurdles. Therefore, we would like to introduce the integrated GUI environment for nanomaterials analysis, "Advance/NanoLabo," provided by Advance Soft Corporation. Additionally, we will provide a beginner-friendly explanation of the world-standard computational engines "Quantum ESPRESSO" and "LAMMPS," which operate behind NanoLabo.