Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches

Rohit Goswami, Hannes Jónsson
ChemPhysChem (Cover feature) 2025
doi arxiv Handling legacy Fortran code Reconciling eOn for Academia and FOSS

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BibTeX
@article{goswamiAdaptivePruningOA2025,
  title = {Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches},
  author = {Goswami, Rohit and J{\'o}nsson, Hannes},
  journal = {ChemPhysChem (Cover feature)},
  date = {2025-11-27},
  doi = {10.1002/cphc.202500730},
  copyright = {\copyright{} 2025 The Author(s). ChemPhysChem published by Wiley-VCH GmbH},
  langid = {english},
  archivePrefix = {arXiv},
  eprint = {2510.06030},
  eprinttype = {arxiv},
  keywords = {journal, selected},
}