The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Abstract
A modification of the nudged elastic band method for finding minimum energy paths is presented. One of the images is made to climb up along the elastic band to converge rigorously on the highest saddle point. Also, variable spring constants are used to increase the density of images near the top of the energy barrier to get an improved estimate of the reaction coordinate near the saddle point. Applications to CH4 dissociative adsorption on Ir(111) and H2 on Si(100) using plane wave based density functional theory are presented.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Cited by
Thompson, A. P., Aktulga, H. M., Berger, R., Bolintineanu, D. S., Brown, W. M., Crozier, P. S., in 't Veld, P. J., Kohlmeyer, A., Moore, S. G., Nguyen, T. D., et al. (2022) · Computer Physics Communications · doi:10.1016/j.cpc.2021.108171 · Cited by 12,598
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388
Platinum single-atom and cluster catalysis of the hydrogen evolution reaction
Cheng, N., Stambula, S., Wang, D., Banis, M. N., Liu, J., Riese, A., Xiao, B., Li, R., Sham, T.-K., Liu, L.-M., et al. (2016) · Nature Communications · doi:10.1038/ncomms13638 · Cited by 2,072
Huang, Z.-F., Song, J., Du, Y., Xi, S., Dou, S., Nsanzimana, J. M. V., Wang, C., Xu, Z. J., & Wang, X. (2019) · Nature Energy · doi:10.1038/s41560-019-0355-9 · Cited by 1,858
Zhang, J., Vukmirovic, M. B., Xu, Y., Mavrikakis, M., & Adzic, R. R. (2005) · Angewandte Chemie International Edition · doi:10.1002/anie.200462335 · Cited by 1,106
Metadata
- Authors
- Henkelman, G., Uberuaga, B. P., & Jónsson, H.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2000-12-08
- Volume
- 113
- Issue
- 22
- Pages
- 9901-9904
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2122427541
- Cited by
- 21,620
- References
- 2
- FWCI
- 12.09
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
