All Stories

  1. NaTiO2: a layered anode material for sodium-ion batteries

    Article • Energy & Environmental Science, January 2015, Royal Society of Chemistry

    Professor Gerbrand Ceder

  2. Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Gerbrand Ceder

  3. Theoretical capacity achieved in a LiMn0.5Fe0.4Mg0.1BO3 cathode by using topological disorder

    Article • Energy & Environmental Science, January 2015, Royal Society of Chemistry

    Professor Gerbrand Ceder

  4. Computational and experimental investigation of TmAgTe2and XYZ2compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

    Article • Journal of Materials Chemistry C, January 2015, Royal Society of Chemistry

    Professor Gerbrand Ceder

  5. Particle-size and morphology dependence of the preferred interface orientation in LiFePO4 nano-particles

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Professor Gerbrand Ceder

  6. Data-mined similarity function between material compositions

    Article • Physical Review B, December 2013, American Physical Society (APS)

    Professor Gerbrand Ceder

  7. The Stuff of Dreams

    Article • Scientific American, November 2013, Springer Science + Business Media

    Professor Gerbrand Ceder

  8. Efficient creation and convergence of surface slabs

    Article • Surface Science, November 2013, Elsevier

    Professor Gerbrand Ceder

  9. Low hole polaron migration barrier in lithium peroxide

    Article • Physical Review B, February 2012, American Physical Society (APS)

    Professor Gerbrand Ceder

  10. Feasibility of band gap engineering of pyrite FeS 2

    Article • Physical Review B, December 2011, American Physical Society (APS)

    Professor Gerbrand Ceder

  11. Thermodynamics and Kinetics of Phase Transformations in Hydrogen Storage Materials

    Article • August 2011, Office of Scientific and Technical Information (OSTI)

    Professor Gerbrand Ceder

  12. Electrochemical Properties of Monoclinic NaMnO2

    Article • Journal of The Electrochemical Society, January 2011, The Electrochemical Society

    Professor Gerbrand Ceder

  13. Ab initio study of the low-temperature phases of lithium imide

    Article • Physical Review B, November 2010, American Physical Society (APS)

    Professor Gerbrand Ceder

  14. Exact expressions for structure selection in cluster expansions

    Article • Physical Review B, November 2010, American Physical Society (APS)

    Professor Gerbrand Ceder

  15. Effect of Particle Size on Hydrogen Release from Sodium Alanate Nanoparticles

    Article • ACS Nano, September 2010, American Chemical Society (ACS)

    Professor Gerbrand Ceder

  16. Opportunities and challenges for first-principles materials design and applications to Li battery materials

    Article • MRS Bulletin, September 2010, Springer Science + Business Media

    Professor Gerbrand Ceder

  17. Particle Size Dependence of the Ionic Diffusivity

    Article • Nano Letters, August 2010, American Chemical Society (ACS)

    Professor Gerbrand Ceder

  18. First-principles determination of charge and orbital interactions in Fe 3 O 4

    Article • Physical Review B, May 2010, American Physical Society (APS)

    Professor Gerbrand Ceder

  19. A Feasibility Study of Steelmaking by Molten Oxide Electrolysis (TRP9956)

    Article • December 2009, Office of Scientific and Technical Information (OSTI)

    Professor Gerbrand Ceder

  20. Tailoring the Morphology of LiCoO2: A First Principles Study

    Article • Chemistry of Materials, July 2009, American Chemical Society (ACS)

    Professor Gerbrand Ceder

  21. Bayesian approach to cluster expansions

    Article • Physical Review B, July 2009, American Physical Society (APS)

    Professor Gerbrand Ceder

  22. ChemInform Abstract: Battery Materials for Ultrafast Charging and Discharging.

    Article • ChemInform, June 2009, Wiley

    Professor Gerbrand Ceder

  23. Phase diagram and electrochemical properties of mixed olivines from first-principles calculations

    Article • Physical Review B, June 2009, American Physical Society (APS)

    Professor Gerbrand Ceder

  24. Battery materials for ultrafast charging and discharging

    Article • Nature, March 2009, Springer Science + Business Media

    Professor Gerbrand Ceder

  25. Factors that affect Li mobility in layered lithium transition metal oxides

    Article • Physical Review B, September 2006, American Physical Society (APS)

    Professor Gerbrand Ceder

  26. Oxidation energies of transition metal oxides within the GGA + U framework

    Article • Physical Review B, May 2006, American Physical Society (APS)

    Professor Gerbrand Ceder

  27. Spin transitions in the Fe x Mn 1 − x S 2 system

    Article • Physical Review B, March 2006, American Physical Society (APS)

    Professor Gerbrand Ceder, Professor Dane Morgan

  28. Materials for Electrochemical Energy Conversion and Storage

    Article • March 2006, Wiley

    Professor Gerbrand Ceder

  29. Coarse-Graining Protein Energetics in Sequence Variables

    Article • Physical Review Letters, September 2005, American Physical Society (APS)

    Professor Gerbrand Ceder, Professor Dane Morgan

  30. Electronic-Enthalpy Functional for Finite Systems Under Pressure

    Article • Physical Review Letters, April 2005, American Physical Society (APS)

    Professor Gerbrand Ceder

  31. Data Mining in Materials Development

    Article • January 2005, Springer Science + Business Media

    Professor Gerbrand Ceder

  32. Data Mining in Materials Development

    Article • January 2005, Springer Science + Business Media

    Professor Gerbrand Ceder

  33. Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation

    Article • ChemInform, December 2004, Wiley

    Professor Gerbrand Ceder

  34. Predicting Crystal Structures with Data Mining of Quantum Calculations

    Article • Physical Review Letters, September 2003, American Physical Society (APS)

    Professor Gerbrand Ceder, Professor Dane Morgan

  35. First-principles study of magnetism in spinel MnO 2

    Article • April 2003, American Physical Society (APS)

    Professor Gerbrand Ceder, Professor Dane Morgan

  36. S = 1 2 chains and spin-Peierls transition in TiOCl

    Article • January 2003, American Physical Society (APS)

    Professor Gerbrand Ceder

  37. Data Mining Approach to Ab-Initio Prediction of Crystal Structure

    Article • MRS Proceedings, January 2003, Cambridge University Press

    Professor Gerbrand Ceder, Professor Dane Morgan

  38. Computational Modeling and Simulation for Rechargeable Batteries

    Article • MRS Bulletin, August 2002, Springer Science + Business Media

    Professor Gerbrand Ceder

  39. Dynamics of an Inhomogeneously Coarse Grained Multiscale System

    Article • Physical Review Letters, June 2002, American Physical Society (APS)

    Professor Gerbrand Ceder

  40. Preface

    Article • Modelling and Simulation in Materials Science and Engineering, May 2000, Institute of Physics Publishing

    Professor Gerbrand Ceder

  41. Ab INITIO CALCULATION OF THE LixCoO2 PHASE DIAGRAM

    Article • MRS Proceedings, January 1997, Springer Science + Business Media

    Professor Gerbrand Ceder