Artificial neural network correction for density-functional tight-binding molecular dynamics simulations Journal June, 2019
Density-Functional Tight-Binding for Platinum Clusters and Bulk: Electronic vs Repulsive Parameters... Journal June, 2019
Phenyleneethynylene trimer-based rigid-flexible [2+2] macrocycles for nucleic acid labelling in live cells Journal June, 2019
Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities Journal May, 2019
