118 related articles for article (PubMed ID: 37246800)
1. Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths.
Mitsuta Y; Asada T
J Comput Chem; 2023 Sep; 44(23):1884-1897. PubMed ID: 37246800
[TBL] [Abstract][Full Text] [Related]
2. Curvature-weighted nudged elastic band method using the Riemann curvature.
Mitsuta Y; Asada T
J Comput Chem; 2023 Feb; 44(5):662-669. PubMed ID: 36380703
[TBL] [Abstract][Full Text] [Related]
3. Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.
Zhang J; Zhang H; Ye H; Zheng Y
J Chem Phys; 2016 Sep; 145(9):094104. PubMed ID: 27608986
[TBL] [Abstract][Full Text] [Related]
4. Paths to which the nudged elastic band converges.
Sheppard D; Henkelman G
J Comput Chem; 2011 Jun; 32(8):1769-71; author reply 1772-3. PubMed ID: 21328409
[TBL] [Abstract][Full Text] [Related]
5. Physical Prior Mean Function-Driven Gaussian Processes Search for Minimum-Energy Reaction Paths with a Climbing-Image Nudged Elastic Band: A General Method for Gas-Phase, Interfacial, and Bulk-Phase Reactions.
Teng C; Wang Y; Bao JL
J Chem Theory Comput; 2024 May; 20(10):4308-4324. PubMed ID: 38720441
[TBL] [Abstract][Full Text] [Related]
6. Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect.
Udagawa T; Suzuki K; Tachikawa M
Chemphyschem; 2015 Oct; 16(15):3156-60. PubMed ID: 26295285
[TBL] [Abstract][Full Text] [Related]
7. Optimization methods for finding minimum energy paths.
Sheppard D; Terrell R; Henkelman G
J Chem Phys; 2008 Apr; 128(13):134106. PubMed ID: 18397052
[TBL] [Abstract][Full Text] [Related]
8. Removing External Degrees of Freedom from Transition-State Search Methods using Quaternions.
Melander M; Laasonen K; Jónsson H
J Chem Theory Comput; 2015 Mar; 11(3):1055-62. PubMed ID: 26579757
[TBL] [Abstract][Full Text] [Related]
9. Searching for Saddle Points by Using the Nudged Elastic Band Method: An Implementation for Gas-Phase Systems.
González-García N; Pu J; González-Lafont À; Lluch JM; Truhlar DG
J Chem Theory Comput; 2006 Jul; 2(4):895-904. PubMed ID: 26633048
[TBL] [Abstract][Full Text] [Related]
10. R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry.
Mathiesen NR; Jónsson H; Vegge T; García Lastra JM
J Chem Theory Comput; 2019 May; 15(5):3215-3222. PubMed ID: 30892887
[TBL] [Abstract][Full Text] [Related]
11. Nudged-elastic band method with two climbing images: finding transition states in complex energy landscapes.
Zarkevich NA; Johnson DD
J Chem Phys; 2015 Jan; 142(2):024106. PubMed ID: 25591337
[TBL] [Abstract][Full Text] [Related]
12. A modified nudged elastic band algorithm with adaptive spring lengths.
Mandelli D; Parrinello M
J Chem Phys; 2021 Aug; 155(7):074103. PubMed ID: 34418926
[TBL] [Abstract][Full Text] [Related]
13. Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following.
Ásgeirsson V; Birgisson BO; Bjornsson R; Becker U; Neese F; Riplinger C; Jónsson H
J Chem Theory Comput; 2021 Aug; 17(8):4929-4945. PubMed ID: 34275279
[TBL] [Abstract][Full Text] [Related]
14. Improving the efficiency of the NEB reaction path finding algorithm.
Galván IF; Field MJ
J Comput Chem; 2008 Jan; 29(1):139-43. PubMed ID: 17546677
[TBL] [Abstract][Full Text] [Related]
15. An efficient algorithm for finding the minimum energy path for cation migration in ionic materials.
Rong Z; Kitchaev D; Canepa P; Huang W; Ceder G
J Chem Phys; 2016 Aug; 145(7):074112. PubMed ID: 27544092
[TBL] [Abstract][Full Text] [Related]
16. Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search.
Denzel A; Haasdonk B; Kästner J
J Phys Chem A; 2019 Nov; 123(44):9600-9611. PubMed ID: 31617719
[TBL] [Abstract][Full Text] [Related]
17. A growing string method for determining transition states: comparison to the nudged elastic band and string methods.
Peters B; Heyden A; Bell AT; Chakraborty A
J Chem Phys; 2004 May; 120(17):7877-86. PubMed ID: 15267702
[TBL] [Abstract][Full Text] [Related]
18. Nudged-elastic band used to find reaction coordinates based on the free energy.
Bohner MU; Zeman J; Smiatek J; Arnold A; Kästner J
J Chem Phys; 2014 Feb; 140(7):074109. PubMed ID: 24559340
[TBL] [Abstract][Full Text] [Related]
19. Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence.
Ruttinger AW; Sharma D; Clancy P
J Chem Theory Comput; 2022 May; 18(5):2993-3005. PubMed ID: 35389640
[TBL] [Abstract][Full Text] [Related]
20. Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p-benzoquinone and phenol fragmentation in mass spectrometry.
Sugimura N; Igarashi Y; Aoyama R; Shibue T
Eur J Mass Spectrom (Chichester); 2017 Feb; 23(1):40-44. PubMed ID: 28657448
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]