What are the Challenges in Quantum Mechanics Simulations?
Despite their power, quantum mechanics simulations face several challenges:
Computational Cost: Quantum mechanical calculations are computationally intensive, requiring significant resources and time, especially for large systems. Accuracy: While methods like DFT are widely used, they rely on approximations that can sometimes lead to inaccuracies. Finding the balance between accuracy and computational feasibility is a constant challenge. Scalability: Extending simulations to larger systems or longer timescales without losing accuracy remains a difficult task.
