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Dane Morgan

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Papers (51)

  1. Regression with Large Language Models for Materials and Molecular Property Prediction cond-mat.mtrl-sci · 2024 · author #6
  2. Exploring effective charge in electromigration using machine learning cond-mat.mtrl-sci · 2019 · author #5
  3. Flux effects in precipitation under irradiation - Simulation of Fe-Cr alloys cond-mat.mtrl-sci · 2019 · author #5
  4. Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High-Efficiency Solar Cells cond-mat.mtrl-sci · 2019 · author #3
  5. Assessing correlations of perovskite catalytic performance with electronic structure descriptors cond-mat.mtrl-sci · 2019 · author #4
  6. StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies physics.comp-ph · 2019 · author #6
  7. Corrosion of Si, C, and SiC in molten salt physics.comp-ph · 2018 · author #4
  8. Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+delta cond-mat.mtrl-sci · 2018 · author #3
  9. Predicting the thermodynamic stability of perovskite oxides using machine learning models cond-mat.mtrl-sci · 2018 · author #3
  10. First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys cond-mat.mtrl-sci · 2018 · author #6
  11. Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells cond-mat.mtrl-sci · 2018 · author #4
  12. Stretching Epitaxial La0.6Sr0.4CoO3-{\delta} for Fast Oxygen Reduction cond-mat.mtrl-sci · 2017 · author #9
  13. Work function and surface stability of tungsten-based thermionic electron emission cathodes cond-mat.mtrl-sci · 2017 · author #2
  14. CALPHAD modeling and ab initio calculations of the Np-U-Zr system cond-mat.mtrl-sci · 2017 · author #2
  15. Strain effects on oxygen vacancy formation energy in perovskites cond-mat.mtrl-sci · 2017 · author #2
  16. Imaging of Single La Vacancies in LaMnO$_{3}$ cond-mat.mtrl-sci · 2017 · author #6
  17. Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation cond-mat.mtrl-sci · 2017 · author #4
  18. Cs diffusion in SiC high-energy grain boundaries cond-mat.mtrl-sci · 2017 · author #3
  19. Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels cond-mat.mtrl-sci · 2017 · author #7
  20. Ab-initio modeling of electrolyte molecule Ethylene Carbonate decomposition reaction on Li(Ni,Mn,Co)O2 cathode surface cond-mat.mtrl-sci · 2017 · author #7
  21. Integrated Modeling of Second Phase Precipitation in Cold-Worked 316 Stainless Steels under Irradiation cond-mat.mtrl-sci · 2017 · author #4
  22. Robust FCC solute diffusion predictions from ab-initio machine learning methods cond-mat.mtrl-sci · 2017 · author #7
  23. Optimization of self-interstitial clusters in 3C-SiC with Genetic Algorithm cond-mat.mtrl-sci · 2017 · author #4
  24. Continuum model for hydrogen pickup in Zirconium alloys of LWR fuel cladding cond-mat.mtrl-sci · 2017 · author #4
  25. Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower Mantle cond-mat.mtrl-sci · 2017 · author #3
  26. Nanoscale Voltage Enhancement at Cathode Interfaces in Li-ion Batteries cond-mat.mtrl-sci · 2017 · author #5
  27. Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface With Zinc Vacancies and Hydrogen cond-mat.mtrl-sci · 2017 · author #6
  28. Understanding and reducing deleterious defects in metastable alloy GaAsBi cond-mat.mtrl-sci · 2016 · author #6
  29. The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion cond-mat.mtrl-sci · 2016 · author #8
  30. Factors controlling oxygen migration barriers in perovskites cond-mat.mtrl-sci · 2016 · author #2
  31. First-principles Predictions of Electronic Properties of GaAs1-x-yPyBix and GaAs1-x-yPyBix-based Heterojunctions cond-mat.mtrl-sci · 2016 · author #4
  32. Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC cond-mat.mtrl-sci · 2016 · author #3
  33. Radiation-induced mobility of small defect clusters in covalent materials cond-mat.mtrl-sci · 2016 · author #3
  34. Strain Effects on Oxygen Migration in Perovskites cond-mat.mtrl-sci · 2016 · author #2
  35. Ag diffusion in SiC high-energy grain boundaries: kinetic Monte Carlo study with first-principle calculations cond-mat.mtrl-sci · 2016 · author #4
  36. Origin of Fe3+ in Fe-containing, Al-free Mantle Silicate Perovskite astro-ph.EP · 2016 · author #3
  37. Origins of Large Voltage Hysteresis in High Energy-Density Metal Fluoride Lithium-Ion Battery Conversion Electrodes cond-mat.mtrl-sci · 2016 · author #6
  38. Lithium transport through Lithium-ion battery cathode coatings cond-mat.mtrl-sci · 2016 · author #7
  39. Understanding and controlling the work function of perovskite oxides using Density Functional Theory cond-mat.mtrl-sci · 2016 · author #3
  40. Electron Emission Energy Barriers and Stability of $Sc_2O_3$ with Adsorbed Ba and Ba-O cond-mat.mtrl-sci · 2016 · author #3
  41. Intrinsic defects and conduction characteristics of $Sc_2O_3$ in thermionic cathode systems cond-mat.mtrl-sci · 2016 · author #3
  42. Oxygen Point Defect Chemistry in Ruddlesden-Popper Oxides (La$_{1-x}$Sr$_{x}$)$_{2}$MO$_{4{\pm}{\delta}}$ (M = Co, Ni, Cu) cond-mat.mtrl-sci · 2016 · author #4
  43. Thermal Diffusion Boron Doping of Single-Crystal Diamond cond-mat.mtrl-sci · 2016 · author #9
  44. High-Throughput ab-initio Dilute Solute Diffusion Database cond-mat.mtrl-sci · 2016 · author #3
  45. Applicability of DFT + U to U metal and U-Zr alloy cond-mat.mtrl-sci · 2016 · author #3
  46. AFLOW: An automatic framework for high-throughput materials discovery cond-mat.mtrl-sci · 2013 · author #14
  47. Coarse-graining protein energetics in sequence variables physics.bio-ph · 2005 · author #6
  48. The electronic structure and band gap of LiFePO4 and LiMnPO4 cond-mat.mtrl-sci · 2005 · author #5
  49. Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys cond-mat.mtrl-sci · 2005 · author #2
  50. First-principles prediction of redox potentials in transition-metal compounds with LDA+U cond-mat.mtrl-sci · 2004 · author #4
  51. Predicting Crystal Structures with Data Mining of Quantum Calculations cond-mat.mtrl-sci · 2003 · author #2

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