Graeme Henkelman

Materials Chemistry · 2000–2019

A researcher in the Science corpus: 16 papers; trusts 1 researcher and is trusted by 33 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 85 citations into it; #960 of 11,513 by trust here, #790 by citations
• Atomic and Molecular Physics, and Optics — 37 citations into it; #492 of 7,135 by trust here, #94 by citations

Whom Graeme Henkelman trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Hannes Jónsson

Who trusts Graeme Henkelman overall

1. Abhijit Chatterjee
2. L. Palatinus
3. M. Yu
4. Felix Dräxler
5. Xu Zhang
6. A. P. Bart'ok
7. K. Klyukin
8. É. Maras
9. D. Cereceda
10. H. Tetlow

Papers from Graeme Henkelman's perspective

Ordered by how strongly the researchers Graeme Henkelman trusts endorse each paper. Same corpus, a different order for every researcher.

1. Improved grid‐based algorithm for Bader charge allocation (Journal of Computational Chemistry)
2. I and J
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes. (Physical Review Letters)
5. Surface segregation effects in electrocatalysis: Kinetics of oxygen reduction reaction on polycrystalline Pt3Ni alloy surfaces
6. Past, present--and future?
7. The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling
8. van der Waals density functional for general geometries. (Physical Review Letters)
9. Noncovalent interactions: a challenge for experiment and theory. (Chemical Reviews)
10. Alternative energy technologies

Their papers

• Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points (2000) — 8,350 citations
• Interfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections (2014) — 156 citations
• A grid-based Bader analysis algorithm without lattice bias (2009) — 6,908 citations
• A fast and robust algorithm for Bader decomposition of charge density (2006) — 9,057 citations
• Calculations of Li-Ion Diffusion in Olivine Phosphates (2011) — 274 citations
• Improved grid‐based algorithm for Bader charge allocation (2007) — 3,703 citations
• Removal of interstitial H2O in hexacyanometallates for a superior cathode of a sodium-ion battery. (2015) — 783 citations
• Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors (2019) — 504 citations
• Theoretical Resolution of the Exceptional Oxygen Reduction Activity of Au(100) in Alkaline Media (2019) — 147 citations
• Tuning the Catalytic Preference of Ruthenium Catalysts for Nitrogen Reduction by Atomic Dispersion (2019) — 186 citations
• Honeycomb‐Like Spherical Cathode Host Constructed from Hollow Metallic and Polar Co9S8 Tubules for Advanced Lithium–Sulfur Batteries (2018) — 237 citations
• Enhanced Activity Promoted by CeOx on a CoOx Electrocatalyst for the Oxygen Evolution Reaction (2018) — 146 citations
• A generalized solid-state nudged elastic band method. (2012) — 1,009 citations
• Optimization methods for finding minimum energy paths. (2008) — 1,689 citations
• Methods for Finding Saddle Points and Minimum Energy Paths (2002) — 359 citations
• Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table (2001) — 419 citations