A spring pair method of finding saddle points using the minimum energy
path as a compass
A spring pair method of finding saddle points using the minimum energy
path as a compass
Finding index-1 saddle points is crucial for understanding phase transitions. In this work, we propose a simple yet efficient approach, the spring pair method (SPM), to accurately locate saddle points. Without requiring Hessian information, SPM evolves a single pair of spring-coupled particles on the potential energy surface. By cleverly designing …