D-Index & Metrics Best Publications

D-Index & Metrics

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 68 Citations 37,254 226 World Ranking 2996 National Ranking 1078

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Oxygen
  • Hydrogen

Density functional theory, Saddle point, Nanoparticle, Catalysis and Nanotechnology are his primary areas of study. His work carried out in the field of Density functional theory brings together such families of science as Chemical physics, Surface diffusion, Crystallography, Classical mechanics and Atomic physics. His research integrates issues of Atom, Charge and Algorithm in his study of Atomic physics.

His Saddle point study combines topics in areas such as Mathematical analysis, Potential energy surface, Energy, Statistical physics and Potential energy. His biological study spans a wide range of topics, including Reaction coordinate, Restoring force, Perpendicular and Tangent. His Catalysis study combines topics from a wide range of disciplines, such as Binding energy, Oxygen and Nanostructure.

His most cited work include:

  • A climbing image nudged elastic band method for finding saddle points and minimum energy paths (8457 citations)
  • A fast and robust algorithm for Bader decomposition of charge density (4551 citations)
  • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points (4424 citations)

What are the main themes of his work throughout his whole career to date?

The scientist’s investigation covers issues in Density functional theory, Catalysis, Nanoparticle, Chemical engineering and Inorganic chemistry. In his study, which falls under the umbrella issue of Density functional theory, Dissociation is strongly linked to Adsorption. His research investigates the connection between Catalysis and topics such as Oxygen that intersect with issues in Desorption.

The Nanoparticle study combines topics in areas such as Alloy, Binding energy, Extended X-ray absorption fine structure and Physical chemistry. The concepts of his Chemical engineering study are interwoven with issues in Electrocatalyst, Oxygen evolution, Electrochemistry, Oxygen reduction reaction and Metal. He has researched Electrochemistry in several fields, including Cathode and Lithium.

He most often published in these fields:

  • Density functional theory (35.29%)
  • Catalysis (29.08%)
  • Nanoparticle (21.24%)

What were the highlights of his more recent work (between 2019-2021)?

  • Chemical engineering (17.97%)
  • Catalysis (29.08%)
  • Density functional theory (35.29%)

In recent papers he was focusing on the following fields of study:

His primary areas of investigation include Chemical engineering, Catalysis, Density functional theory, Inorganic chemistry and Electrochemistry. His work deals with themes such as Electrocatalyst, Electrolyte, Overpotential, Oxygen and Oxygen reduction reaction, which intersect with Chemical engineering. Graeme Henkelman interconnects Carbon, Photochemistry, Metal, Oxygen evolution and Binding energy in the investigation of issues within Catalysis.

In his research, he undertakes multidisciplinary study on Density functional theory and Coaxial. His study in Inorganic chemistry is interdisciplinary in nature, drawing from both Reduction, Zerovalent iron and Sulfur. His studies deal with areas such as Sodium and Transition metal as well as Electrochemistry.

Between 2019 and 2021, his most popular works were:

  • Tuning the Catalytic Preference of Ruthenium Catalysts for Nitrogen Reduction by Atomic Dispersion (48 citations)
  • Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron. (24 citations)
  • Atomically Embedded Ag via Electrodiffusion Boosts Oxygen Evolution of CoOOH Nanosheet Arrays (19 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Oxygen
  • Catalysis

Graeme Henkelman mostly deals with Catalysis, Inorganic chemistry, Chemical engineering, Sulfur and Nanoparticle. Graeme Henkelman has included themes like Electrochemistry, Overpotential, Tafel equation, Oxygen evolution and Metal in his Catalysis study. His Inorganic chemistry research incorporates themes from Electrocatalyst and Reduction.

His Chemical engineering study integrates concerns from other disciplines, such as Surface reconstruction, Electrolyte, Cathode, Redox and Kinetics. His Nanoparticle research is multidisciplinary, incorporating perspectives in Field, Well-defined, Chemical physics and Aqueous solution. As a part of the same scientific study, Graeme Henkelman usually deals with the Reactivity, concentrating on Density functional theory and frequently concerns with Electron transfer.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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

Graeme Henkelman;Blas P. Uberuaga;Hannes Jónsson.
Journal of Chemical Physics (2000)

11713 Citations

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

Graeme Andrew Henkelman;Hannes Jónsson.
Journal of Chemical Physics (2000)

6222 Citations

A fast and robust algorithm for Bader decomposition of charge density

Graeme Andrew Henkelman;Andri Arnaldsson;Hannes Jónsson;Hannes Jónsson.
Computational Materials Science (2006)

6021 Citations

A grid-based Bader analysis algorithm without lattice bias

W. Tang;E. Sanville;Graeme Andrew Henkelman.
Journal of Physics: Condensed Matter (2009)

4521 Citations

Improved grid-based algorithm for Bader charge allocation.

Edward Sanville;Steven D. Kenny;Roger Smith;Graeme Henkelman.
Journal of Computational Chemistry (2007)

2543 Citations

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

Graeme Henkelman;Hannes Jónsson.
Journal of Chemical Physics (1999)

2243 Citations

Optimization methods for finding minimum energy paths.

Daniel Sheppard;Rye Terrell;Graeme Andrew Henkelman.
Journal of Chemical Physics (2008)

1335 Citations

A generalized solid-state nudged elastic band method.

Daniel Sheppard;Penghao Xiao;William Chemelewski;William Chemelewski;Duane D. Johnson;Duane D. Johnson;Duane D. Johnson.
Journal of Chemical Physics (2012)

550 Citations

Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table

Graeme Henkelman;Hannes Jónsson.
Journal of Chemical Physics (2001)

473 Citations

Comparison of methods for finding saddle points without knowledge of the final states

R. A. Olsen;G. J. Kroes;Graeme Andrew Henkelman;A. Arnaldsson.
Journal of Chemical Physics (2004)

462 Citations

If you think any of the details on this page are incorrect, let us know.

Contact us

Best Scientists Citing Graeme Henkelman

Rajeev Ahuja

Rajeev Ahuja

Uppsala University

Publications: 147

David J. Wales

David J. Wales

University of Cambridge

Publications: 107

Blas P. Uberuaga

Blas P. Uberuaga

Los Alamos National Laboratory

Publications: 106

Kyeongjae Cho

Kyeongjae Cho

The University of Texas at Dallas

Publications: 94

Hannes Jónsson

Hannes Jónsson

University of Iceland

Publications: 91

Yoshiyuki Kawazoe

Yoshiyuki Kawazoe

Tohoku University

Publications: 86

Jens K. Nørskov

Jens K. Nørskov

Technical University of Denmark

Publications: 83

Chuying Ouyang

Chuying Ouyang

Jiangxi Normal University

Publications: 82

Jinlong Yang

Jinlong Yang

University of Science and Technology of China

Publications: 82

Nora H. de Leeuw

Nora H. de Leeuw

University of Leeds

Publications: 82

Manos Mavrikakis

Manos Mavrikakis

University of Wisconsin–Madison

Publications: 80

Francesc Illas

Francesc Illas

University of Barcelona

Publications: 79

Núria López

Núria López

University of Barcelona

Publications: 68

Perla B. Balbuena

Perla B. Balbuena

Texas A&M University

Publications: 68

Haijun Jiao

Haijun Jiao

University of Rostock

Publications: 67

Emily A. Carter

Emily A. Carter

Princeton University

Publications: 65

Trending Scientists

Mike Brewer

Mike Brewer

University of Essex

Aki Tsuchiya

Aki Tsuchiya

University of Sheffield

John G. Ekerdt

John G. Ekerdt

The University of Texas at Austin

Kazunori Ikebukuro

Kazunori Ikebukuro

Tokyo University of Agriculture and Technology

Sanjeev Chandra

Sanjeev Chandra

University of Toronto

Ravi Sachidanandam

Ravi Sachidanandam

Icahn School of Medicine at Mount Sinai

Patrick H. O'Farrell

Patrick H. O'Farrell

University of California, San Francisco

Robert H. Whittaker

Robert H. Whittaker

Cornell University

Sjur Olsnes

Sjur Olsnes

University of Oslo

C. E. Van Der Schoot

C. E. Van Der Schoot

University of Amsterdam

Ryan Plummer

Ryan Plummer

Brock University

Jean-Philippe Lachaux

Jean-Philippe Lachaux

Inserm : Institut national de la santé et de la recherche médicale

Kipling D. Williams

Kipling D. Williams

Purdue University West Lafayette

Estelle V. Lambert

Estelle V. Lambert

University of Cape Town

Antje Wiener

Antje Wiener

Universität Hamburg

Anne Marie Goetz

Anne Marie Goetz

New York University

Something went wrong. Please try again later.