2 papers
physics.chem-ph2021
Mechanisms of Molecular Ferroelectrics Made Simple
Xiaoqing Zhu, Wenbin Fan, Wei Ren +1
Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldabl…
physics.chem-ph2019
Ring Polymer Molecular Dynamics in Gas-Surface Reactions: Inclusion of Quantum Effects Made Simple
Qinghua Liu, Liang Zhang, Yongle Li +1
Accurately modeling gas-surface collision dynamics presents a great challenge for theory, especially in the low energy (or temperature) regime where quantum effects are important.…