John M. Gregoire

Overview

Best Publications

• Lithium-Assisted Plastic Deformation of Silicon Electrodes in Lithium-Ion Batteries: A First-Principles Theoretical Study

  Kejie Zhao;Wei L. Wang;John Gregoire;Matt Pharr

  372
  Citations

• Inverse Design of Solid-State Materials via a Continuous Representation

  Juhwan Noh;Jaehoon Kim;Helge S. Stein;Benjamin Sanchez-Lengeling

  348
  Citations

• The 2019 materials by design roadmap

  Kirstin Alberi;Marco Buongiorno Nardelli;Andriy Zakutayev;Lubos Mitas

  344
  Citations

• The evolution of the polycrystalline copper surface, first to Cu(111) and then to Cu(100), at a fixed CO₂RR potential: a study by operando EC-STM.

  Youn-Geun Kim;Jack Hess Baricuatro;Alnald Javier;John Mathew Gregoire

  330
  Citations

• Autonomous experimentation systems for materials development: A community perspective

  Eric Stach;Brian DeCost;A. Gilad Kusne;A. Gilad Kusne;Jason Hattrick-Simpers

  323
  Citations

• Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

  M. L. Green;C. L. Choi;J. R. Hattrick-Simpers;A. M. Joshi

  309
  Citations

• Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces

  Hao Li;Sara Kelly;Dan Guevarra;Zhenbin Wang

  303
  Citations

• Electrochemical Stability of Metastable Materials

  Arunima K. Singh;Lan Zhou;Aniketa Shinde;Santosh K. Suram

  302
  Citations

• High-throughput, combinatorial synthesis of multimetallic nanoclusters

  Yonggang Yao;Zhennan Huang;Tangyuan Li;Hang Wang

  221
  Citations

• Progress and prospects for accelerating materials science with automated and autonomous workflows

  Helge S Stein;John M Gregoire

  215
  Citations

• Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment.

  Qimin Yan;Jie Yu;Santosh K. Suram;Lan Zhou

  207
  Citations

• An Operando Investigation of (Ni–Fe–Co–Ce)Ox System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction

  Marco Favaro;Walter S. Drisdell;Matthew A. Marcus;John M. Gregoire

  196
  Citations

• Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis

  Joel A. Haber;Yun Cai;Suho Jung;Chengxiang Xiang

  195
  Citations

• Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery.

  Arunima K. Singh;Joseph H. Montoya;John M. Gregoire;Kristin A. Persson;Kristin A. Persson

  188
  Citations

• High Throughput Light Absorber Discovery, Part 1: An Algorithm for Automated Tauc Analysis.

  Santosh K. Suram;Paul F. Newhouse;John M. Gregoire

  170
  Citations

• The 2022 solar fuels roadmap

  Unknown

  165
  Citations

• Scanning droplet cell for high throughput electrochemical and photoelectrochemical measurements

  John M. Gregoire;Chengxiang Xiang;Xiaonao Liu;Martin Marcin

  142
  Citations

• Benchmarking the acceleration of materials discovery by sequential learning.

  Brian Rohr;Helge S. Stein;Dan Guevarra;Yu Wang

  136
  Citations

• Rutile Alloys in the Mn-Sb-O System Stabilize Mn3+ to Enable Oxygen Evolution in Strong Acid

  Lan Zhou;Aniketa Shinde;Joseph H. Montoya;Arunima Singh

  134
  Citations

• Machine learning of optical properties of materials – predicting spectra from images and images from spectra

  Helge S. Stein;Dan Guevarra;Paul F. Newhouse;Edwin Soedarmadji

  122
  Citations

• Perspective: Composition–structure–property mapping in high-throughput experiments: Turning data into knowledge

  Jason R. Hattrick-Simpers;John M. Gregoire;A. Gilad Kusne;A. Gilad Kusne

  106
  Citations