A Tutorial Review of Bayesian Optimization with Gaussian Processes to Accelerate Stationary Point Searches

Rohit Goswami
ACS Physical Chemistry Au 2026
doi arxiv

Code

BibTeX
@article{goswamiTutorialReviewBayesian2026,
  mypdf = {https://arxiv.org/abs/2603.10992},
  title = {A Tutorial Review of Bayesian Optimization with Gaussian Processes to Accelerate Stationary Point Searches},
  author = {Goswami, Rohit},
  year = {2026},
  journal = {ACS Physical Chemistry Au},
  publisher = {American Chemical Society},
  doi = {10.1021/acsphyschemau.6c00038},
  langid = {english},
  archivePrefix = {arXiv},
  eprint = {2603.10992},
  eprinttype = {arxiv},
  keywords = {journal, selected},
}