What Are the Challenges of Using NWChem for Catalysis?
While NWChem is a powerful tool, it comes with its own set of challenges:
Steep Learning Curve: Mastering NWChem requires a good understanding of both computational chemistry and the software itself. Computational Resources: High-level calculations can be resource-intensive, necessitating access to powerful computing infrastructure. Complexity: Setting up and interpreting catalytic simulations can be complex and time-consuming.
