How to Cite chemparseplot#
How to Cite chemparseplot#
If you use chemparseplot in your research, please cite the relevant papers based on functionality used.
Software Citation#
cite:[goswami2024chemparseplot]
Visualization Methods#
When using 2D reaction valley projection (landscape plotting with project_path=True, grad_imq, grad_matern):
cite:[goswami2026valley]
The method maps NEB trajectories onto a two-dimensional projection defined by
permutation-corrected RMSD from reactant and product configurations, with a
rotated coordinate frame decomposing into reaction progress (s) and orthogonal
deviation (d).
NEB Methods#
When using NEB-related parsing, visualization, or enhanced CI-NEB:
cite:[goswami2026neb]
Enhanced Climbing Image NEB method with Hessian eigenmode alignment for improved saddle point convergence.
Gaussian Process Methods#
When using GP-based surface fitting, interpolation, or saddle search acceleration:
cite:[goswami2025gpr goswami2025pruning]
GPR-accelerated saddle point searches with efficient implementation
Adaptive pruning for increased robustness and reduced computational overhead
Statistical Analysis#
When using Bayesian hierarchical models for performance analysis:
cite:[goswami2025bayesian]
Combined Citation#
For papers using chemparseplot with full functionality:
cite:[goswami2024chemparseplot goswami2026valley goswami2026neb goswami2025gpr goswami2025pruning goswami2025bayesian]
Acknowledgments#
Computational chemistry data was parsed and visualized using chemparseplot
(https://github.com/HaoZeke/chemparseplot). Reaction path visualization employed
the 2D reaction valley projection method [cite:@goswami2026valley]. NEB calculations
used the enhanced CI-NEB method [cite:@goswami2026neb]. Gaussian process surface
fitting followed [cite:@goswami2025gpr @goswami2025pruning].