密度泛函理论新进展及应用培训课件.pptVIP

With advances in computer technologies and material theories, today, we can understand material properties from first principles, we can also predict new properties of existing materials. We may be able design materials with desired properties in future. The advance in computer technologies over the last couple of decades has been remarkable. This figure shows the performance of the top 500 supercomputers in the world over the last ten years. The performance of a computer is usually measured in GFLOPS. The red curve is for top #1, the green curve, top #250, and blue, top #500. As we can se