Department Publications

2010s

2017

5. Discovering the building blocks of atomic systems using machine learning: application to grain boundaries

   Conrad W. Rosenbrock^†, Eric R. Homer, Gábor Csányi, and Gus L. W. Hart

   NPJ Comput. Mater. 3, 29 (2017).
   
6. Generating derivative superstructures for systems with high configurational freedom

   Wiley S. Morgan^†, Gus L. W. Hart, and Rodney W. Forcade

   Comput. Mater. Sci. 136, 144-149 (2017).
   
7. Robustness of the cluster expansion: Assessing the roles of relaxation and numerical error

   Andrew H. Nguyen, Conrad W. Rosenbrock^†, C. Shane Reese, and Gus L. W. Hart

   Phys. Rev. B 96, 014107 (2017).
   
8. The AFLOW Library of Crystallographic Prototypes: Part 1

   Michael J. Mehl, David Hicks, Cormac Toher, Ohad Levy, Robert M. Hanson, Gus Hart, and Stefano Curtarolo

   Comput. Mater. Sci. 136, Supplement, s1-s828 (2017).
   
9. Revisiting the revised Ag-Pt phase diagram

   Gus L.W. Hart, Lance J. Nelson^†, Richard R. Vanfleet, Branton J. Campbell, Marcel H.F. Sluiter, Jan H. Neethling, … (5 other authors)

   Acta Mater. 124, 325-332 (2017).
   

^‡Undergraduate Student Author

^†Graduate Student Author