Robert B. Wexler

Washington University in St. Louis — United States

Materials Science · Physical Sciences

16h-index2.2kcitations42works4.72yr avg
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Research Topics

Machine Learning in Materials Science(13), Electrocatalysts for Energy Conversion(7), Advancements in Solid Oxide Fuel Cells(5), Electronic and Structural Properties of Oxides(5), X-ray Diffraction in Crystallography(4)

Publications42 total

wexlergroup/FreeBird.jl: v0.3.0
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Adsorbate phase transitions on nanoclusters from nested sampling
The Journal of Chemical Physics·2025Open Access
FreeBird.jl: An Extensible Toolbox for Simulating Interfacial Phase Equilibria
Journal of Chemical Theory and Computation·2025Open Access
Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks
Materials Horizons·2025· 1 cited
Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications
Chemistry of Materials·2025· 1 cited
The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
ArXiv.org·2025Open Access
Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks
2025Open Access
(<i>Invited) </i>Structure-Property Defect Models for Materials Discovery in Clean Energy Applications
ECS Meeting Abstracts·2025
Adsorbate phase transitions on nanoclusters from nested sampling
ArXiv.org·2025· 2 citedOpen Access
Defect diffusion graph neural networks for materials discovery in high-temperature, clean energy applications
2024· 2 citedOpen Access
JARVIS-Leaderboard: a large scale benchmark of materials design methods
npj Computational Materials·2024· 38 citedOpen Access
Surface phase diagrams from nested sampling
Physical Chemistry Chemical Physics·2024· 12 citedOpen Access
Mixed Ionic Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen
2023· 2 citedOpen Access
Surface Phase Diagrams from Nested Sampling
arXiv (Cornell University)·2023· 3 citedOpen Access
Engineering Relaxor Behavior in (BaTiO<sub>3</sub>)<i><sub>n</sub></i>/(SrTiO<sub>3</sub>)<i><sub>n</sub></i> Superlattices
Advanced Materials·2023· 6 citedOpen Access
JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
arXiv (Cornell University)·2023· 4 citedOpen Access
Materials Design Directions for Solar Thermochemical Water Splitting
2023· 5 citedOpen Access
Relationship between the Surface Reconstruction of Nickel Phosphides and Their Activity toward the Hydrogen Evolution Reaction
ACS Catalysis·2023· 65 cited
Ab Initio Study of Hydrogen Niobate HNbO<sub>3</sub>: Structural, Thermodynamic, Dielectric, and Optical Properties
The Journal of Physical Chemistry C·2023· 2 cited
Multiple and nonlocal cation redox in Ca–Ce–Ti–Mn oxide perovskites for solar thermochemical applications
Energy & Environmental Science·2023· 32 citedOpen Access
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Frequent Co-authors

Andrew M. Rappe(14), Emily A. Carter(8), Anthony H. McDaniel(6), Ellen B. Stechel(5), Andrew J. E. Rowberg(5), Sean R. Bishop(5), Stephan Lany(5), Matthew Witman(5), Gopalakrishnan Sai Gautam(4), Mingrui Yang(4), Lívia B. Pártay(4), Joel B. Varley(4), Arvin Kakekhani(3), John Mark P. Martirez(3), Nicholas A. Strange(3), Lauren Way(3), Catalin D. Spataru(3), Anuj Goyal(3), Tadashi Ogitsu(3), Tian Qiu(2)