Find My Journal

GH

Graeme Henkelman

The University of Texas at Austin US

0000-0002-0336-7153

463

Publications

82,012

Citations

89

H-Index

298

i10-Index

11.58

2yr Mean Cite

-

Cite/Paper

Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar

Verify on Google Scholar

Publication & Citation Trends

Most Cited Works

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

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

The Journal of Chemical Physics 2000

20,771

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

Computational Materials Science 2005

10,182

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

Graeme Henkelman, Hannes Jónsson

The Journal of Chemical Physics 2000

9,252

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang, Edward Sanville, Graeme Henkelman

Journal of Physics Condensed Matter 2009

7,436

Improved grid‐based algorithm for Bader charge allocation OA

Edward Sanville, S.D. Kenny, Roger Smith, Graeme Henkelman

Journal of Computational Chemistry 2007

4,134

Publications

463 total

Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

Zhi‐Jian Zhao, Sihang Liu, Shenjun Zha, Dongfang Cheng, Felix Studt et al. - Nature Reviews Materials, 2019

Cited by 617 OpenAlex

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

Jie Song, Long Wang, Yuhao Lu, Jue Liu, Bingkun Guo et al. - Journal of the American Chemical Society, 2015

Cited by 923 OpenAlex

Lithium Insertion in Nanostructured TiO<sub>2</sub>(B) Architectures

Anthony G. Dylla, Graeme Henkelman, Keith J. Stevenson - Accounts of Chemical Research, 2013

Cited by 421 OpenAlex

A Systematic Investigation of <i>p</i>-Nitrophenol Reduction by Bimetallic Dendrimer Encapsulated Nanoparticles PDF

Zachary D. Pozun, Stacia E. Rodenbusch, Emily Keller, Kelly Tran, Wenjie Tang et al. - The Journal of Physical Chemistry C, 2013

Cited by 386 OpenAlex

A generalized solid-state nudged elastic band method

Daniel Sheppard, Penghao Xiao, William D. Chemelewski, D. D. Johnson, Graeme Henkelman - The Journal of Chemical Physics, 2012

Cited by 1,122 OpenAlex

CO Oxidation Mechanism on CeO<sub>2</sub>-Supported Au Nanoparticles

Hyun You Kim, Hyuck Mo Lee, Graeme Henkelman - Journal of the American Chemical Society, 2011

Cited by 533 OpenAlex

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang, Edward Sanville, Graeme Henkelman - Journal of Physics Condensed Matter, 2009

Cited by 7,436 OpenAlex

Optimization methods for finding minimum energy paths

Daniel Sheppard, Rye Terrell, Graeme Henkelman - The Journal of Chemical Physics, 2008

Cited by 1,794 OpenAlex

Improved grid‐based algorithm for Bader charge allocation PDF

Edward Sanville, S.D. Kenny, Roger Smith, Graeme Henkelman - Journal of Computational Chemistry, 2007

Cited by 4,134 OpenAlex

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson - Computational Materials Science, 2005

Cited by 10,182 OpenAlex

Research Topics

Catalytic Processes in Materials Science (112) Electrocatalysts for Energy Conversion (99) Advanced Battery Materials and Technologies (84) Advancements in Battery Materials (77) Advanced Chemical Physics Studies (55)

Frequent Co-Authors

HA

Hannes Jónsson

6 joint publications

AN

Andri Arnaldsson

2 joint publications

WE

Wenjie Tang

2 joint publications

ED

Edward Sanville

2 joint publications

DA

Daniel Sheppard

2 joint publications

PE

Penghao Xiao

2 joint publications

Affiliations

Institució Catalana de Recerca i Estudis Avançats

ES 2022 - 2022

Los Alamos National Laboratory

US 2005 - 2003

Pacific Northwest National Laboratory

US 2009 - 2008

Chongqing University

CN 2016 - 2016

The University of Texas at Dallas

US 2009 - 2009

External Profiles

OpenAlex Profile Search Semantic Scholar ORCID Profile Google Scholar

Share Profile

Back to Researchers