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Dane Morgan

Identifiers

  • name variant Dane Morgan 0.60 · backfill

Papers (96)

  1. Thermal Transport in SiC with Intrinsic Defects and Mg Transmutation Products cond-mat.mtrl-sci · 2026 · author #7
  2. Machine learning metallic glass critical cooling rates through elemental and molecular simulation based featurization cond-mat.mtrl-sci · 2026 · author #4
  3. Improving Combined Detection and Classification of TEM Defects via Mask-Conditioned Latent Diffusion Augmentation cs.CV · 2026 · author #8
  4. How Can Machine Learning Accelerate CALPHAD Free Energy Modeling? cond-mat.mtrl-sci · 2026 · author #5
  5. Regression with Large Language Models for Materials and Molecular Property Prediction cond-mat.mtrl-sci · 2024 · author #6
  6. Machine Learning Design of Perovskite Catalytic Properties cond-mat.mtrl-sci · 2023 · author #4
  7. A Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties cond-mat.mtrl-sci · 2023 · author #4
  8. Time-dependence of SrVO$_3$ thermionic electron emission properties physics.app-ph · 2023 · author #3
  9. Role of Multifidelity Data in Sequential Active Learning Materials Discovery Campaigns: Case Study of Electronic Bandgap cond-mat.mtrl-sci · 2023 · author #3
  10. How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matching cond-mat.mtrl-sci · 2023 · author #3
  11. Predictions and Uncertainty Estimates of Reactor Pressure Vessel Steel Embrittlement Using Machine Learning cond-mat.mtrl-sci · 2023 · author #4
  12. Machine Learning Prediction of Critical Cooling Rate for Metallic Glasses From Expanded Datasets and Elemental Features cond-mat.mtrl-sci · 2023 · author #12
  13. Thermophysical properties of FLiBe using moment tensor potentials cond-mat.mtrl-sci · 2023 · author #2
  14. Machine learning in nuclear materials research cond-mat.mtrl-sci · 2022 · author #1
  15. Distribution of atomic rearrangement vectors in a metallic glass cond-mat.mtrl-sci · 2022 · author #4
  16. Machine learning for classifying and interpreting coherent X-ray speckle patterns cond-mat.mtrl-sci · 2022 · author #7
  17. Materials Swelling Revealed Through Automated Semantic Segmentation of Cavities in Electron Microscopy Images cond-mat.mtrl-sci · 2022 · author #5
  18. Benchmark tests of atom segmentation deep learning models with a consistent dataset cond-mat.mtrl-sci · 2022 · author #4
  19. Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets cond-mat.mtrl-sci · 2022 · author #5
  20. Compositional Trends in Surface Enhanced Diffusion in Lead Silicate Glasses cond-mat.mtrl-sci · 2022 · author #7
  21. Understanding the fragile-to-strong transition in silica from microscopic dynamics cond-mat.dis-nn · 2022 · author #2
  22. Physical factors governing the shape of the Miram curve knee in thermionic emission physics.app-ph · 2022 · author #3
  23. Modified Band Alignment Method to Obtain Hybrid Functional Accuracy from Standard DFT: Application to Defects in Highly Mismatched III-V:Bi Alloys cond-mat.mtrl-sci · 2021 · author #5
  24. Physics-based Model for Nonuniform Thermionic Electron Emission from Polycrystalline Cathodes physics.app-ph · 2021 · author #6
  25. Performance, Successes and Limitations of Deep Learning Semantic Segmentation of Multiple Defects in Transmission Electron Micrographs cs.CV · 2021 · author #13
  26. Molecular Dynamic Characteristic Temperatures for Predicting Metallic Glass Forming Ability cond-mat.mtrl-sci · 2021 · author #4
  27. Discovery and Engineering of Low Work Function Perovskite Materials cond-mat.mtrl-sci · 2021 · author #4
  28. Work Function Trends and New Low Work Function Boride and Nitride Materials for Electron Emission Applications cond-mat.mtrl-sci · 2021 · author #4
  29. MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions cond-mat.mtrl-sci · 2021 · author #2
  30. Mechanisms of bulk and surface diffusion in metallic glasses determined from molecular dynamics simulations cond-mat.mtrl-sci · 2021 · author #4
  31. Multi defect detection and analysis of electron microscopy images with deep learning cs.CV · 2021 · author #15
  32. A Deep Learning Based Automatic Defect Analysis Framework for In-situ TEM Ion Irradiations cs.CV · 2021 · author #7
  33. Molecular simulation-derived features for machine learning predictions of metal glass forming ability cond-mat.mtrl-sci · 2021 · author #6
  34. Factors correlating to enhanced surface diffusion in metallic glasses cond-mat.mtrl-sci · 2021 · author #5
  35. Exploration of Characteristic Temperature Contributions to Metallic Glass Forming Ability cond-mat.mtrl-sci · 2021 · author #6
  36. Calibrated bootstrap for uncertainty quantification in regression models cond-mat.mtrl-sci · 2021 · author #10
  37. An Unexpected Role of H During SiC Corrosion in Water cond-mat.mtrl-sci · 2021 · author #3
  38. Deciphering water-solid reactions during hydrothermal corrosion of SiC physics.chem-ph · 2021 · author #3
  39. Solid phase epitaxial growth of the correlated-electron transparent conducting oxide SrVO3 cond-mat.mtrl-sci · 2021 · author #13
  40. Exploring Generative Adversarial Networks for Image-to-Image Translation in STEM Simulation cs.CV · 2020 · author #5
  41. Impact of Nonuniform Thermionic Emission on the Transition Behavior between Temperature- and Space-Charge-Limited Emission physics.app-ph · 2020 · author #3
  42. Opportunities and Challenges for Machine Learning in Materials Science cond-mat.mtrl-sci · 2020 · author #1
  43. Assessing Graph-based Deep Learning Models for Predicting Flash Point physics.comp-ph · 2020 · author #11
  44. The Materials Simulation Toolkit for Machine Learning (MAST-ML): an automated open source toolkit to accelerate data-driven materials research physics.comp-ph · 2019 · author #8
  45. Exploring effective charge in electromigration using machine learning cond-mat.mtrl-sci · 2019 · author #5
  46. Flux effects in precipitation under irradiation - Simulation of Fe-Cr alloys cond-mat.mtrl-sci · 2019 · author #5
  47. Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High-Efficiency Solar Cells cond-mat.mtrl-sci · 2019 · author #3
  48. Assessing correlations of perovskite catalytic performance with electronic structure descriptors cond-mat.mtrl-sci · 2019 · author #4
  49. StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies physics.comp-ph · 2019 · author #6
  50. Corrosion of Si, C, and SiC in molten salt physics.comp-ph · 2018 · author #4
  51. Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+delta cond-mat.mtrl-sci · 2018 · author #3
  52. Combined ab initio and empirical model of the thermal conductivity of uranium, uranium-zirconium, and uranium-molybdenum cond-mat.mtrl-sci · 2018 · author #6
  53. Predicting the thermodynamic stability of perovskite oxides using machine learning models cond-mat.mtrl-sci · 2018 · author #3
  54. First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys cond-mat.mtrl-sci · 2018 · author #6
  55. Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells cond-mat.mtrl-sci · 2018 · author #4
  56. Stretching Epitaxial La0.6Sr0.4CoO3-{\delta} for Fast Oxygen Reduction cond-mat.mtrl-sci · 2017 · author #9
  57. Work function and surface stability of tungsten-based thermionic electron emission cathodes cond-mat.mtrl-sci · 2017 · author #2
  58. CALPHAD modeling and ab initio calculations of the Np-U-Zr system cond-mat.mtrl-sci · 2017 · author #2
  59. Transition state redox during dynamical processes in semiconductors and insulators cond-mat.mtrl-sci · 2017 · author #3
  60. Strain effects on oxygen vacancy formation energy in perovskites cond-mat.mtrl-sci · 2017 · author #2
  61. Imaging of Single La Vacancies in LaMnO$_{3}$ cond-mat.mtrl-sci · 2017 · author #6
  62. Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation cond-mat.mtrl-sci · 2017 · author #4
  63. Cs diffusion in SiC high-energy grain boundaries cond-mat.mtrl-sci · 2017 · author #3
  64. Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels cond-mat.mtrl-sci · 2017 · author #7
  65. 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
  66. Integrated Modeling of Second Phase Precipitation in Cold-Worked 316 Stainless Steels under Irradiation cond-mat.mtrl-sci · 2017 · author #4
  67. Robust FCC solute diffusion predictions from ab-initio machine learning methods cond-mat.mtrl-sci · 2017 · author #7
  68. Optimization of self-interstitial clusters in 3C-SiC with Genetic Algorithm cond-mat.mtrl-sci · 2017 · author #4
  69. Continuum model for hydrogen pickup in Zirconium alloys of LWR fuel cladding cond-mat.mtrl-sci · 2017 · author #4
  70. Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower Mantle cond-mat.mtrl-sci · 2017 · author #3
  71. Nanoscale Voltage Enhancement at Cathode Interfaces in Li-ion Batteries cond-mat.mtrl-sci · 2017 · author #5
  72. Counterintuitive Reconstruction of the Polar O-Terminated ZnO Surface With Zinc Vacancies and Hydrogen cond-mat.mtrl-sci · 2017 · author #6
  73. Understanding and reducing deleterious defects in metastable alloy GaAsBi cond-mat.mtrl-sci · 2016 · author #6
  74. The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion cond-mat.mtrl-sci · 2016 · author #8
  75. Factors controlling oxygen migration barriers in perovskites cond-mat.mtrl-sci · 2016 · author #2
  76. First-principles Predictions of Electronic Properties of GaAs1-x-yPyBix and GaAs1-x-yPyBix-based Heterojunctions cond-mat.mtrl-sci · 2016 · author #4
  77. Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC cond-mat.mtrl-sci · 2016 · author #3
  78. Radiation-induced mobility of small defect clusters in covalent materials cond-mat.mtrl-sci · 2016 · author #3
  79. Strain Effects on Oxygen Migration in Perovskites cond-mat.mtrl-sci · 2016 · author #2
  80. Ag diffusion in SiC high-energy grain boundaries: kinetic Monte Carlo study with first-principle calculations cond-mat.mtrl-sci · 2016 · author #4
  81. Origin of Fe3+ in Fe-containing, Al-free Mantle Silicate Perovskite astro-ph.EP · 2016 · author #3
  82. Origins of Large Voltage Hysteresis in High Energy-Density Metal Fluoride Lithium-Ion Battery Conversion Electrodes cond-mat.mtrl-sci · 2016 · author #6
  83. Lithium transport through Lithium-ion battery cathode coatings cond-mat.mtrl-sci · 2016 · author #7
  84. Understanding and controlling the work function of perovskite oxides using Density Functional Theory cond-mat.mtrl-sci · 2016 · author #3
  85. Electron Emission Energy Barriers and Stability of $Sc_2O_3$ with Adsorbed Ba and Ba-O cond-mat.mtrl-sci · 2016 · author #3
  86. Intrinsic defects and conduction characteristics of $Sc_2O_3$ in thermionic cathode systems cond-mat.mtrl-sci · 2016 · author #3
  87. 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
  88. Thermal Diffusion Boron Doping of Single-Crystal Diamond cond-mat.mtrl-sci · 2016 · author #9
  89. High-Throughput ab-initio Dilute Solute Diffusion Database cond-mat.mtrl-sci · 2016 · author #3
  90. Applicability of DFT + U to U metal and U-Zr alloy cond-mat.mtrl-sci · 2016 · author #3
  91. AFLOW: An automatic framework for high-throughput materials discovery cond-mat.mtrl-sci · 2013 · author #14
  92. Coarse-graining protein energetics in sequence variables physics.bio-ph · 2005 · author #6
  93. The electronic structure and band gap of LiFePO4 and LiMnPO4 cond-mat.mtrl-sci · 2005 · author #5
  94. Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys cond-mat.mtrl-sci · 2005 · author #2
  95. First-principles prediction of redox potentials in transition-metal compounds with LDA+U cond-mat.mtrl-sci · 2004 · author #4
  96. Predicting Crystal Structures with Data Mining of Quantum Calculations cond-mat.mtrl-sci · 2003 · author #2

Mentions

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Frequent Coauthors