91 citations · 127 across the 2 of their papers we have counts for
4 papers
Prediction of an Extended Ferroelectric Clathrate
Li Zhu, Timothy A. Strobel, R. E. Cohen
Using first-principles calculations, we predict a lightweight room-temperature ferroelectric carbon-boron framework in a host/guest clathrate structure. This ferroelectric clathrat…
Phase Transition Pathway Sampling via Swarm Intelligence and Graph Theory
Li Zhu, R. E. Cohen, Timothy A. Strobel
The prediction of reaction pathways for solid-solid transformations remains a key challenge. Here, we develop a pathway sampling method via swarm intelligence and graph theory, and…
Structural Diversity in Lithium Carbides
Yangzheng Lin, Timothy A. Strobel, R. E. Cohen
The lithium-carbon binary system possesses a broad range of chemical compounds, which exhibit fascinating chemical bonding characteristics that give rise diverse and technologicall…
Exotic stable calcium carbides: theory and experiment
Yan-Ling Li, Sheng-Nan Wang, Artem R. Oganov +3
It is well known that pressure causes profound changes in the properties of atoms and chemical bonding, leading to the formation of many unusual materials. Here we systematically e…