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Physical Chemistry Chemical Physics : PCCP|March 31, 2022
Ultralow work function of the electride Sr<sub>3</sub>CrN<sub>3</sub>Cuicui Wang, Miaoting Xu, Keith T Butler, et al.Accounts of Chemical Research|September 27, 2013
Prediction of electron energies in metal oxidesAron Walsh, Keith T ButlerMaterials Horizons|December 10, 2025
The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?Matthew Walker, Keith T ButlerThe Journal of Physical Chemistry. A|August 16, 2012
Calculation of the 29Si NMR chemical shifts of aqueous silicate speciesKeith T Butler, Dewi W LewisJournal of Physics. Condensed Matter : an Institute of Physics Journal|September 4, 2013
A computational investigation of nickel (silicides) as potential contact layers for silicon photovoltaic cellsKeith T Butler, John H HardingThe Journal of Chemical Physics|November 7, 2021
Entropy-based active learning of graph neural network surrogate models for materials propertiesJohannes Allotey, Keith T Butler, Jeyan ThiyagalingamNpj Computational Materials|February 16, 2026
Leveraging transfer learning for accurate estimation of ionic migration barriers in solidsReshma Devi, Keith T Butler, Gopalakrishnan Sai GautamJournal of Computational Chemistry|August 20, 2008
Toward accurate relative energy predictions of the bioactive conformation of drugsKeith T Butler, F Javier Luque, Xavier BarrilThe Journal of Physical Chemistry Letters|December 2, 2015
Assessment of Hybrid Organic-Inorganic Antimony Sulfides for Earth-Abundant Photovoltaic ApplicationsRuo Xi Yang, Keith T Butler, Aron WalshACS Applied Materials & Interfaces|December 2, 2014
Electronic structure modulation of metal-organic frameworks for hybrid devicesKeith T Butler, Christopher H Hendon, Aron WalshPageof 39