While I have seen many papers in which Gaussian is used in calculations, I have not seen any paper in recent times where new methods are implemented in Gaussian. The latest paper I could find concerned the EDIIS method which was published nearly twenty years ago. Development of methods seems to h...

In computational material science, we need workflows for optimization surrogate models which requires high computation resources. I am actually concerned with why material science community is using FireWorks compared to highly supported workflow management package such as TensorFlow?