Publications in 2025

21

Q. Liu, M.P. Polak, M.A.A. Shuvo, H.S. Deodhar, J. Han, D. Morgan, H. Oh, Automated extraction of materials system charts using a large language model framework, Scr Mater 267 (2025). (Journal Pub)

20

Q. Liu, M.P. Polak, S.Y. Kim, M.A.A. Shuvo, H.S. Deodhar, J. Han, D. Morgan, H. Oh, Beyond designer’s knowledge: Generating materials design hypotheses via a large language model, Acta Mater (2025) 121307. (Journal Pub)

19

L.E. Schultz, B. Afflerbach, P.M. Voyles, D. Morgan, Machine learning metallic glass critical cooling rates through elemental and molecular simulation based featurization, Journal of Materiomics 11 (2025). (Journal Pub)

18

Q. Chen, A. Annamareddy, Y.-F. Li, D. Morgan, B. Wang, Physical regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction, (2025). (arXiv)

17

J. Meng, M.S. Sheikh, L.E. Schultz, W.O. Nachlas, J. Liu, M.P. Polak, R. Jacobs, D. Morgan, Ultrafast Oxygen Conduction in Sillén Oxychlorides, Chemistry of Materials 37 (2025) 3147–3157. (Journal Pub)

16

L.E. Schultz, Y. Wang, R. Jacobs, D. Morgan, A general approach for determining applicability domain of machine learning models, NPJ Comput Mater 11 (2025) 1–22. (Journal Pub)

15

M.P. Polak, D. Morgan, Leveraging Vision Capabilities of Multimodal LLMs for Automated Data Extraction from Plots, (2025). (arXiv)

14

R. Jacobs, D. Morgan, S. Attarian, J. Meng, C. Shen, Z. Wu, C.Y. Xie, J.H. Yang, N. Artrith, B. Blaiszik, G. Ceder, K. Choudhary, G. Csanyi, E.D. Cubuk, B. Deng, R. Drautz, X. Fu, J. Godwin, V. Honavar, O. Isayev, A. Johansson, S. Martiniani, S.P. Ong, I. Poltavsky, K.J. Schmidt, S. Takamoto, A.P. Thompson, J. Westermayr, B.M. Wood, B. Kozinsky, A practical guide to machine learning interatomic potentials – Status and future, Curr Opin Solid State Mater Sci 35 (2025). (Journal Pub)

13

S. Paul, S. Attarian, M. Fratoni, D. Morgan, I. Szlufarska, Influence of transmutation products on the thermophysical properties of eutectic NaCl-UCl3 fuel salt in a fast-spectrum molten salt reactor, Journal of Nuclear Materials 605 (2025). (Journal Pub)

12

B.P. Chelstrom, M.P. Polak, D. Morgan, C.R. Henak, Mechanical Properties of the Meninges: Large Language Model Assisted Systematic Review of over 25,000 Studies, (2025). (arXiv)

11

Y.-L. Lee, Y. Duan, D. Sorescu, W. Saidi, D. Morgan, W. Epting, G. Hackett, H. Abernathy, Defect Thermodynamics and Transport Properties of Proton Conducting Perovskite Electrode and Electrolyte Materials Evaluated Based on Density Functional Theory Modeling, (2025). (Journal Pub)

10

N. Li, R. Jacobs, M. Lynch, V. Agrawal, K. Field, D. Morgan, Predicting Performance of Object Detection Models in Electron Microscopy Using Random Forests, (2025). (arXive)

9

J.H. Duffy, N. Birkner, C. Kim, R. Jacobs, D. Morgan, S. Sharma, S.T. Misture, E.M. Kelder, H.W. Abernathy, K.S. Brinkman, Structural and thermodynamic analysis of triple conducting ceramic materials BaCo0.4Fe0.4Zr0.2?XYXO3??, J Mater Chem A Mater 13 (2025) 10147–10159. (Journal Pub)

8

R.E. Gutierrez, I. Matanovic, M.P. Polak, D. Morgan, E. Schamiloglu, Density functional theory calculations of the electronic structure and dielectric properties of metal oxide systems Al2O3, MgO, Cu2O, TiO2, WO3, J Electron Spectros Relat Phenomena 278 (2025). (Journal Pub)

7

V. Agrawal, S. Zhang, L.E. Schultz, D. Morgan, Accelerating ensemble uncertainty estimates in supervised materials property regression models, Comput Mater Sci 246 (2025). (Journal Pub)

6

R. Ullah, D.D. Morgan, I. Szlufarska, Mg and native defects in cubic silicon carbide from first principles, J Phys D Appl Phys 58 (2025) 265302. (Journal Pub)

5

S. Paul, S. Attarian, M. Fratoni, D. Morgan, I. Szlufarska, Influence of transmutation products on the thermophysical properties of eutectic NaCl-UCl3 fuel salt in a fast-spectrum molten salt reactor, Journal of Nuclear Materials 605 (2025). (Journal Pub)

4

V. Jambur, Z. Wang, J. Sunderland, S. Im, X. Hu, S. Akinyemi, J.H. Perepezko, P.M. Voyles, I. Szlufarska, Ion beam assisted deposition of a thin film metallic glass, Thin Solid Films 812 (2025). (Journal Pub)

3

M.W. Qureshi, S. Wei, L. Liu, S. Paul, J.Y. Kim, C. Zhang, X. Wang, J.H. Perepezko, D. Morgan, I. Szlufarska, Predictive screening of phase stability in high-entropy ceramics, Mater Adv (2025). (Journal Pub)

2

N. Liu, X. Hu, J. Cai, R. Su, R. Thevamaran, H. Zhang, J.H. Perepezko, I. Szlufarska, Strain rate effects on shear-band behavior in the Al-Sm system, Acta Mater 284 (2025). (Journal Pub)

1

S. Attarian, C. Shen, D. Morgan, I. Szlufarska, Best practices for fitting machine learning interatomic potentials for molten salts: A case study using NaCl-MgCl2, Comput Mater Sci 246 (2025). (Journal Pub)