Melting temperature prediction using a graph neural network model: From ancient minerals to new materials.

Hong, Qi-Jun; Ushakov, Sergey V; van de Walle, Axel; Navrotsky, Alexandra.

Afiliação

Hong QJ; School for Engineering of Transport, Energy and Matter, Arizona State University, Tempe, AZ 85287.
Ushakov SV; Center for Materials of the University, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287.
van de Walle A; School of Engineering, Brown University, Providence, RI 02912.
Navrotsky A; Center for Materials of the University, School of Molecular Sciences, Arizona State University, Tempe, AZ 85287.

Proc Natl Acad Sci U S A ; 119(36): e2209630119, 2022 Sep 06.

Article em En | MEDLINE | ID: mdl-36044552