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Graeme Henkelman | Researchclopedia

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Graeme Henkelman

The University of Texas at Austin ORCID

463

Works

81,475

Citations

89

h-index

298

i10-index

Research Topics

Catalytic Processes in Materials Science Electrocatalysts for Energy Conversion Advanced Battery Materials and Technologies

Affiliations

Institució Catalana de Recerca i Estudis Avançats2022–2022

Los Alamos National Laboratory2003–2005

Pacific Northwest National Laboratory2008–2009

Chongqing University2016–2016

The University of Texas at Dallas2009–2009

Top Works

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman,Blas P. Uberuaga,et al.

200020,633 citations

Advancements in Battery Materials

Advanced Chemical Physics Studies

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman,Andri Arnaldsson,et al.

200510,124 citations

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman,Hannes Jónsson

20009,200 citations

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang,Edward Sanville,et al.

20097,399 citations

Improved grid‐based algorithm for Bader charge allocation

Edward Sanville,S.D. Kenny,et al.

20074,114 citations

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

Graeme Henkelman,Hannes Jónsson

19993,344 citations

Optimization methods for finding minimum energy paths

Daniel Sheppard,Rye Terrell,et al.

20081,786 citations

A generalized solid-state nudged elastic band method

Daniel Sheppard,Penghao Xiao,et al.

20121,117 citations

Removal of Interstitial H<sub>2</sub>O in Hexacyanometallates for a Superior Cathode of a Sodium-Ion Battery

Jie Song,Long Wang,et al.

2015919 citations