numerical methods

What are some common software tools for numerical simulations in catalysis?

Several software tools are widely used for numerical simulations in catalysis. Some popular options include Gaussian and VASP for quantum chemical calculations, COMSOL Multiphysics for multiphysics simulations including CFD, and LAMMPS for molecular dynamics simulations. These tools provide researchers with the capabilities to model, simulate, and analyze catalytic processes at various scales.

Frequently asked queries:

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What are the challenges in using numerical methods for catalysis?
What are some common software tools for numerical simulations in catalysis?
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