The future of HPC in catalysis is promising, with ongoing advancements in computational power, algorithm development, and data analytics. Future directions include: - Exascale Computing: The next generation of supercomputers, capable of performing a billion billion (10^18) calculations per second, will further enhance the capabilities of catalysis simulations. - Quantum Computing: Emerging quantum computing technologies hold the potential to solve complex quantum mechanical problems that are currently beyond the reach of classical HPC. - Integrated Platforms: Development of integrated computational platforms combining HPC, machine learning, and experimental data to create comprehensive catalytic models.
