Chris Wolverton

Research interests

Publications

• Recent advances and applications of deep learning methods in materials science

  npj Computational Materials · 2022 · https://doi.org/10.1038/s41524-022-00734-6

• ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

  Scientific Reports · 2018 · https://doi.org/10.1038/s41598-018-35934-y

• Revealing molecular-level surface redox sites of controllably oxidized black phosphorus nanosheets

  Nature Materials · 2018 · https://doi.org/10.1038/s41563-018-0230-2

• Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance

  Journal of the American Chemical Society · 2018 · https://doi.org/10.1021/jacs.7b13611

• High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

  Scientific Data · 2017 · https://doi.org/10.1038/sdata.2017.153

• Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

  Physical review. B./Physical review. B · 2017 · https://doi.org/10.1103/physrevb.96.024104

• Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe

  Nature Communications · 2016 · https://doi.org/10.1038/ncomms12167

• Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

  Science · 2015 · https://doi.org/10.1126/science.aad3749

• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

  npj Computational Materials · 2015 · https://doi.org/10.1038/npjcompumats.2015.10

• Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe

  Journal of the American Chemical Society · 2015 · https://doi.org/10.1021/jacs.5b07284

• Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence

  Journal of the American Chemical Society · 2015 · https://doi.org/10.1021/jacs.5b00837

• Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

  Energy & Environmental Science · 2014 · https://doi.org/10.1039/c4ee01463d

• Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

  Nature · 2014 · https://doi.org/10.1038/nature13184

• High ZT in p-Type (PbTe)1–2x(PbSe)x(PbS)x Thermoelectric Materials

  Journal of the American Chemical Society · 2014 · https://doi.org/10.1021/ja4121583

• Combinatorial screening for new materials in unconstrained composition space with machine learning

  Physical Review B · 2014 · https://doi.org/10.1103/physrevb.89.094104

• High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach

  Journal of the American Chemical Society · 2014 · https://doi.org/10.1021/ja500860m

• All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance

  Energy & Environmental Science · 2013 · https://doi.org/10.1039/c3ee42187b

• High Thermoelectric Performance via Hierarchical Compositionally Alloyed Nanostructures

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja403134b

• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

  JOM · 2013 · https://doi.org/10.1007/s11837-013-0755-4

• Role of silicon in accelerating the nucleation of Al3(Sc,Zr) precipitates in dilute Al–Sc–Zr alloys

  Acta Materialia · 2012 · https://doi.org/10.1016/j.actamat.2012.05.036

• First-principles study of the nucleation and stability of ordered precipitates in ternary Al–Sc–Li alloys

  Acta Materialia · 2011 · https://doi.org/10.1016/j.actamat.2011.01.041

• Precipitates in Al–Cu alloys revisited: Atom-probe tomographic experiments and first-principles calculations of compositional evolution and interfacial segregation

  Acta Materialia · 2011 · https://doi.org/10.1016/j.actamat.2011.06.036

• Solute–vacancy binding in aluminum

  Acta Materialia · 2007 · https://doi.org/10.1016/j.actamat.2007.06.039

• Crystal structure and stability of complex precipitate phases in Al–Cu–Mg–(Si) and Al–Zn–Mg alloys

  Acta Materialia · 2001 · https://doi.org/10.1016/s1359-6454(01)00229-4

Current projects

No projects listed.