Department Publications

2020s

2023

5. Accelerating training of MLIPs through small-cell training

   Jason A. Meziere^†, Yu Luo, Yi Xia, Laurent Karim Béland, Mark R. Daymond, and Gus L. W. Hart

   J. Mat. Res., (2023).
   
6. A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity

   Yu Luo, Jason A. Meziere^†, German D. Samolyuk, Gus L. W. Hart, Mark R. Daymond, and Laurent Karim Béland

   J. Chem. Theory Comput. 19 (19), 6848-6856 (2023).
   
7. Machine learning predictions of high-Curie-temperature materials

   Joshua F. Belot^‡, Valentin Taufour, Stefano Sanvito, and Gus L. W. Hart

   Appl. Phys. Lett. 123 (4), (2023).
   
8. Tensor-Reduced Atomic Density Representations

   Dávid P. Kovács, Ilyes Batatia, Miguel A. Caro, Gus L. W. Hart, Christoph Ortner, and Gábor Csányi

   Phys. Rev. Lett. 131 (2), 028001 (2023).
   
9. Relative grain boundary energies from triple junction geometry: Limitations to assuming the Herring condition in nanocrystalline thin films

   Matthew J. Patrick, Gregory S. Rohrer, Ooraphan Chirayutthanasak, Sutatch Ratanaphan, Eric R. Homer, Gus L． W. Hart, Yekaterina Epshteyn, and Katayun Barmak

   Acta Mater. 242, 118476 (2023).
   

^‡Undergraduate Student Author

^†Graduate Student Author