Editorial: Advances in Density Functional Theory and Beyond for Computational Chemistry

Front Chem. 2021 Jul 12:9:705762. doi: 10.3389/fchem.2021.705762. eCollection 2021.

Authors

Wei Hu^{1

2}, Mohan Chen³

Affiliations

¹ Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, China.
² Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA, United States.
³ HEDPS, CAPT, College of Engineering, Peking University, Beijing, China.

No abstract available

Keywords: density functional theory; excited-state; high-performance computing; low-scaling algorithms; machine learning.

Publication types

Editorial