Graeme Henkelman

6PUBLICATIONS
8CO-AUTHORS
Structure and dynamics of materialsTheoretical quantum chemistryMetals and alloy materialsExperimental methods in fluid flow, heat and mass transferCatalysis and mechanisms of reactions
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Publications (6)

|Jul 16, 2021
Factors that influence hydrogen binding at metal-atop sites.

Huiling Zheng, Hao Li, Long Luo

|Jun 15, 2020
Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials.

Lei Li, Hao Li, Ieuan D Seymour

|Nov 10, 2018
Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces.

Hao Li, Kihyun Shin, Graeme Henkelman

|Oct 23, 2017
Transformation of topologically close-packed β-W to body-centered cubic α-W: Comparison of experiments and computations.

Katayun Barmak, Jiaxing Liu, Liam Harlan

|Oct 23, 2017
Preface: Special Topic on Reaction Pathways.

Cecilia Clementi, Graeme Henkelman

|Mar 24, 2017
Communication: Calculations of the (2 × 1)-O reconstruction kinetics on Cu(110).

Xin Lian, Penghao Xiao, Renlong Liu

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Frequent Collaborators

1 joint publications

Katayun Barmak

1 joint publications

Kihyun Shin

1 joint publications

Lei Li

1 joint publications

Ieuan D Seymour