3 papers
cond-mat.mtrl-sci2020
Featureless adaptive optimization accelerates functional electronic materials design
Yiqun Wang, Akshay Iyer, Wei Chen +1
Electronic materials exhibiting phase transitions between metastable states (e.g., metal-insulator transition materials with abrupt electrical resistivity transformations) are chal…
cond-mat.mtrl-sci2019
Assessing exchange-correlation functional performance in the chalcogenide lacunar spinels GaMQ (M = Mo, V, Nb, Ta; Q = S, Se)
Yiqun Wang, Danilo Puggioni, James M. Rondinelli
We perform systematic density functional theory (DFT) calculations to assess the performance of various exchange-correlation potentials in describing the chalcogenide GaM$…
cond-mat.mtrl-sci2019
Symbolic Regression in Materials Science
Yiqun Wang, Nicholas Wagner, James M. Rondinelli
We showcase the potential of symbolic regression as an analytic method for use in materials research. First, we briefly describe the current state-of-the-art method, genetic progra…