Atomic Structure Simulation Model Generation for Accuracy-Atom Count Trade-off

The patent segments the simulation problem by dividing atoms into groups based on their types and spatial distributions. Instead of treating all atoms individually with high-accuracy methods, the system creates multiple simulation regions with different accuracy levels, allowing high accuracy for specific regions of interest while using lower accuracy methods for other regions, thereby enabling simulation of larger numbers of atoms.

The patent applies local quality by assigning different simulation accuracy levels to different spatial regions. High-accuracy simulations are concentrated in specific regions where detailed atomic structure information is critical, while other regions use lower-accuracy methods. This allows the system to maintain high measurement precision where needed while expanding the overall number of atoms that can be simulated.

The patent segments the simulation domain into multiple regions with different accuracy requirements. By dividing the system into zones that can be simulated with appropriate accuracy levels, the method enables simulation of large numbers of atoms using lower-accuracy classical potentials in most regions, while reserving high-accuracy methods for specific critical regions.

The patent applies partial action by using high-accuracy simulation methods for only the necessary portions of the system rather than the entire system. This allows the majority of atoms to be simulated with computationally efficient lower-accuracy methods, thereby increasing the total number of atoms that can be simulated while maintaining sufficient accuracy for the regions where it matters most.