Shyue Ping Ong

Overview

Best Publications

• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

  Anubhav Jain;Shyue Ping Ong;Geoffroy Hautier;Wei-Wei Chen

  12240
  Citations

• Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

  Shyue Ping Ong;William Davidson Richards;Anubhav Jain;Geoffroy Hautier

  4205
  Citations

• Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

  Shyue Ping Ong;Vincent L. Chevrier;Geoffroy Hautier;Anubhav Jain

  1571
  Citations

• Design principles for solid-state lithium superionic conductors

  Yan Wang;William Davidson Richards;Shyue Ping Ong;Shyue Ping Ong;Lincoln J. Miara

  1479
  Citations

• Formation enthalpies by mixing GGA and GGA + U calculations

  Anubhav Jain;Geoffroy Hautier;Shyue Ping Ong;Charles J. Moore

  1373
  Citations

• Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

  Chi Chen;Weike Ye;Yunxing Zuo;Chen Zheng

  1285
  Citations

• A high-throughput infrastructure for density functional theory calculations

  Anubhav Jain;Geoffroy Hautier;Charles J. Moore;Shyue Ping Ong

  1138
  Citations

• Surface energies of elemental crystals

  Richard Tran;Zihan Xu;Balachandran Radhakrishnan;Donald Winston

  1007
  Citations

• Recent Advances and Applications of Deep Learning Methods in Materials Science

  Kamal Choudhary;Brian DeCost;Chi Chen;Anubhav Jain

  966
  Citations

• The Thermodynamic Scale of Inorganic Crystalline Metastability

  Wenhao Sun;Stephen Dacek;Shyue Ping Ong;Geoffroy Hautier

  899
  Citations

• Performance and Cost Assessment of Machine Learning Interatomic Potentials.

  Yunxing Zuo;Chi Chen;Xiangguo Li;Zhi Deng

  890
  Citations

• Li−Fe−P−O2 Phase Diagram from First Principles Calculations

  Shyue Ping Ong;Lei Wang;Byoungwoo Kang;Gerbrand Ceder

  866
  Citations

• A universal graph deep learning interatomic potential for the periodic table

  Unknown

  851
  Citations

• First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

  Yifei Mo;Shyue Ping Ong;Gerbrand Ceder

  846
  Citations

• Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

  Shyue Ping Ong;Yifei Mo;William Davidson Richards;Lincoln Miara

  751
  Citations

• Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

  Geoffroy Hautier;Shyue Ping Ong;Anubhav Jain;Charles J. Moore

  535
  Citations

• A Critical Review of Machine Learning of Energy Materials

  Chi Chen;Yunxing Zuo;Weike Ye;Xiangguo Li

  530
  Citations

• The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

  Shyue Ping Ong;Shreyas Cholia;Anubhav Jain;Miriam Brafman

  511
  Citations

• A disordered rock salt anode for fast-charging lithium-ion batteries

  Haodong Liu;Zhuoying Zhu;Qizhang Yan;Sicen Yu

  510
  Citations

• Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

  Geoffroy Hautier;Anubhav Jain;Shyue Ping Ong;Byoungwoo Kang

  509
  Citations

• Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

  Shyue Ping Ong;Oliviero Andreussi;Yabi Wu;Nicola Marzari

  435
  Citations

• Voltage, Stability and Diffusion Barrier Differences between Sodium-ion and Lithium-ion intercalation Materials

  S. Ong;V. Chevrier;A. Jain;Geoffroy Hautier

  22
  Citations

• Surface energies of elemental crystals

  Richard Tran;Zihan Xu;Balachandran Radhakrishnan;Donald Winston

  11
  Citations