A robust and memory-efficient transition state search method for complex energy landscapes (2022)
Journal Article
Avis, S. J., Panter, J. R., & Kusumaatmaja, H. (2022). A robust and memory-efficient transition state search method for complex energy landscapes. The Journal of Chemical Physics, 157(12), Article 124107. https://doi.org/10.1063/5.0102145

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly a... Read More about A robust and memory-efficient transition state search method for complex energy landscapes.