2026 Axel van de Walle: Materials Science Researcher – H-Index, Publications & Awards

Discipline name	D-Index	World Ranking	Current World Ranking	National Ranking	Current National Ranking	Publications	Citations
Materials Science	47	10998	10626	2580	2397	148	11839

Discipline name

D-Index

World Ranking

Current World Ranking

National Ranking

Current National Ranking

Publications

Citations

Materials Science

10998

10626

2580

2397

148

11839

Overview

Axel van de Walle is affiliated with Brown University in the United States and conducts research primarily in the fields of Engineering and Materials Science. Their work spans several subfields, including Materials Chemistry, Mechanical Engineering, Atomic and Molecular Physics and Optics, Aerospace Engineering, and Geophysics.

Their research interests have concentrated around various topics, such as:

Machine Learning in Materials Science
Intermetallics and Advanced Alloy Properties
Nuclear Materials and Properties
X-ray Diffraction in Crystallography
High-pressure Geophysics and Materials
High Entropy Alloys Studies
Metallic Glasses and Amorphous Alloys

Axel van de Walle has co-authored with several researchers frequently, including Qi-Jun Hong, Siya Zhu, Jan Schroers, Stefano Curtarolo, and Alexandra Navrotsky. These collaborations have involved a significant number of joint publications, indicating a diverse set of research partnerships across multiple specializations.

Prominent venues where Axel van de Walle has published include:

SSRN Electronic Journal
Calphad
arXiv (Cornell University)
Acta Materialia
Computational Materials Science

Notable recent papers authored or co-authored by Axel van de Walle include:

Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the United States, 2022, Proceedings of the National Academy of Sciences
Theoretical prediction of high melting temperature for a Mo-Ru-Ta-W HCP multiprincipal element alloy, 2021, npj Computational Materials
Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US, 2021, bioRxiv (Cold Spring Harbor Laboratory)
Melting temperature prediction using a graph neural network model: From ancient minerals to new materials, 2022, Proceedings of the National Academy of Sciences
A systematic analysis of phase stability in refractory high entropy alloys utilizing linear and non-linear cluster expansion models, 2021, Acta Materialia

Best Publications

Efficient stochastic generation of special quasirandom structures

A. van de Walle;P. Tiwary;M. de Jong;D.L. Olmsted

1547
Citations
Automating first-principles phase diagram calculations

A. van de Walle;G. Ceder

1098
Citations
The Alloy Theoretic Automated Toolkit: A User Guide

A. van de Walle;M. Asta;G. Ceder

1082
Citations
Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

Axel van de Walle

1019
Citations
The effect of lattice vibrations on substitutional alloy thermodynamics

A. van de Walle;G. Ceder

817
Citations
Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams

A van de Walle;M Asta

427
Citations
Method for locating low-energy solutions within DFT+U

B. Meredig;A. Thompson;H. A. Hansen;C. Wolverton

322
Citations
Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic

A. van de Walle;M. Asta

320
Citations
Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy

Qi-Jun Hong;Jan Schroers;Douglas Hofmann;Stefano Curtarolo

243
Citations
First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

G. Ghosh;A. van de Walle;M. Asta

199
Citations
Prediction of the material with highest known melting point from ab initio molecular dynamics calculations

Qi-Jun Hong;Axel van de Walle

193
Citations
Defect-controlled electronic properties in AZn2Sb2 Zintl phases

Gregory S. Pomrehn;Alex Zevalkink;Wolfgang G. Zeier;Axel van de Walle

176
Citations
Thermodynamic properties of binary hcp solution phases from special quasirandom structures

Dongwon Shin;Raymundo Arróyave;Zi Kui Liu;Axel Van De Walle

172
Citations
Structure, energetics, and mechanical stability of Fe-Cu bcc alloys from first-principles calculations

Jefferson Zhe Liu;A van de Walle;G Ghosh;M Asta

161
Citations
CORRECTING OVERBINDING IN LOCAL-DENSITY-APPROXIMATION CALCULATIONS

A. van de Walle;G. Ceder

159
Citations
A complete representation of structure-property relationships in crystals.

A. van de Walle

152
Citations
First-Principles Computation of the Vibrational Entropy of Ordered and Disordered Ni3Al

A. van de Walle;G. Ceder

122
Citations
First-principles study of ternary fcc solution phases from special quasirandom structures

Dongwon Shin;Axel Van De Walle;Yi Wang;Zi Kui Liu

100
Citations
Methods for First-Principles Alloy Thermodynamics

Axel van de Walle

88
Citations
First-principles calculations of the Zn–Zr system

R. Arroyave;A. van de Walle;Z.-K. Liu

82
Citations
Carbides and Nitrides of Zirconium and Hafnium.

Sergey V. Ushakov;Alexandra Navrotsky;Qi Jun Hong;Axel van de Walle

81
Citations
Evaluation of individual and ensemble probabilistic forecasts of COVID-19 mortality in the US

Estee Y Cramer;Evan L Ray;Velma K Lopez;Johannes Bracher

67
Citations