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Mitsuta, Yuki, Asada, Toshio (2023) Curvature‐weighted nudged elastic band method using the Riemann curvature. Journal of Computational Chemistry, 44 (5) 662-669 doi:10.1002/jcc.27030

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Reference TypeJournal (article/letter/editorial)
TitleCurvature‐weighted nudged elastic band method using the Riemann curvature
JournalJournal of Computational Chemistry
AuthorsMitsuta, YukiAuthor
Asada, ToshioAuthor
Year2023 (February 15)Volume44
Issue5
PublisherWiley
DOIdoi:10.1002/jcc.27030Search in ResearchGate
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Mindat Ref. ID15673910Long-form Identifiermindat:1:5:15673910:0
GUID0
Full ReferenceMitsuta, Yuki, Asada, Toshio (2023) Curvature‐weighted nudged elastic band method using the Riemann curvature. Journal of Computational Chemistry, 44 (5) 662-669 doi:10.1002/jcc.27030
Plain TextMitsuta, Yuki, Asada, Toshio (2023) Curvature‐weighted nudged elastic band method using the Riemann curvature. Journal of Computational Chemistry, 44 (5) 662-669 doi:10.1002/jcc.27030
In(2023, February) Journal of Computational Chemistry Vol. 44 (5) Wiley

See Also

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Mitsuta, Yuki, Asada, Toshio (2023) Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths. Journal of Computational Chemistry, 44 (23) 1884-1897 doi:10.1002/jcc.27169
Quapp, Wolfgang, Bofill, Josep Maria (2011) Reply to the comment by Sheppard and Henkelman on the nudged elastic band method. Journal of Computational Chemistry, 32 (8). 1772-1773 doi:10.1002/jcc.21746
Sheppard, Daniel, Henkelman, Graeme (2011) Paths to which the nudged elastic band converges. Journal of Computational Chemistry, 32 (8). 1769-1771 doi:10.1002/jcc.21748
Nakaguro, Keijin, Mitsuta, Yuki, Koseki, Shiro, Oshiyama, Tomohiro, Asada, Toshio (2023) Computational Approach for Molecular Design of Small Organic Molecules with High Hole Mobilities in Amorphous Phase Using Random Forest Technique and Computer Simulation Method. Bulletin of the Chemical Society of Japan, 96 (10) 1099-1107 doi:10.1246/bcsj.20230130
Zhang, Guan, Li, Jin, Liang, Xinxin, Liu, Zongkuan (2022) Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer. Journal of Computational Chemistry, 43 (22) 1513-1523 doi:10.1002/jcc.26891
Alfonso, Dominic R., Jordan, Kenneth D. (2003) A flexible nudged elastic band program for optimization of minimum energy pathways usingab initio electronic structure methods. Journal of Computational Chemistry, 24 (8). 990-996 doi:10.1002/jcc.10233
Mitsuta, Yuki, Yamanaka, Shusuke, Kawakami, Takashi, Okumura, Mitsutaka (2018) Automated Search of Minimum Free‐Energy Path by Umbrella Integration. Journal of Computational Chemistry, 39 (23). 1913-1921 doi:10.1002/jcc.25367
(2023) Issue Information. Journal of Computational Chemistry, 44 (5) 657-661 doi:10.1002/jcc.26899
Munro, Jason M., Liu, Vincent S., Gopalan, Venkatraman, Dabo, Ismaila (2019) Implementation of distortion symmetry for the nudged elastic band method with DiSPy. npj Computational Materials, 5. doi:10.1038/s41524-019-0188-x
Roussey, Nicole M., Dickson, Alex (2023) Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithm. Journal of Computational Chemistry, 44 (8) 935-947 doi:10.1002/jcc.27054
Zhu, Fangqiang, Hummer, Gerhard (2012) Convergence and error estimation in free energy calculations using the weighted histogram analysis method. Journal of Computational Chemistry, 33 (4). 453-465 doi:10.1002/jcc.21989
 
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