What are the Challenges and Limitations of Atomistic Models?
Despite their power, atomistic models have several challenges and limitations. One significant challenge is the computational cost. Simulating large systems or long timescales requires substantial computational resources. Additionally, the accuracy of the models depends on the quality of the interaction potentials or the level of theory used. Simplified models may not capture all the relevant physics, leading to less accurate predictions. Finally, bridging the gap between atomistic models and continuum models (which describe materials at larger scales) remains an ongoing challenge.
