2 papers
physics.chem-ph2025
A Mechanism-Guided Inverse Engineering Framework to Unlock Design Principles of H-Bonded Organic Frameworks for Gas Separation
Yong Qiu, Lei Wang, Letian Chen +3
The diverse combinations of novel building blocks offer a vast design space for hydrogen-boned frameworks (HOFs), rendering it a great promise for gas separation and purification.…
physics.chem-ph2024
A constant potential reactor framework for electrochemical reaction simulations
Letian Chen, Yun Tian, Xu Hu +4
Understanding the evolution of electrified solid-liquid interfaces during electrochemical reactions is crucial. However, capturing the dynamic behavior of the interfaces with high…