What are the challenges in Catalysis addressed by MolSSI?
Several challenges in catalysis are being addressed with the help of MolSSI:
Mechanistic Understanding: Understanding the detailed mechanisms of catalytic reactions is complex. MolSSI's computational tools help visualize and analyze these mechanisms at an atomic level. Catalyst Design: Designing new catalysts with improved performance is a significant challenge. MolSSI's simulations aid in predicting the behavior of potential catalysts before experimental synthesis. Reaction Conditions: Optimizing reaction conditions for catalytic processes can be resource-intensive. Computational models provided by MolSSI help in predicting optimal conditions, saving time and resources.
