Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

by Bajaj, Akash, Janet, Jon Paul, Kulik, Heather Janine
Published 2019

Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

by Liu, Fang, Yang, Tzuhsiung, Yang, Jing, Xu, Eve, Bajaj, Akash, Kulik, Heather Janine
Published 2021