Author
Linda Zhang
Recent research
- Materials & EnergyOpen access
Building a Physics-Aware AI Ecosystem for Solid-State Hydrogen Storage Materials
Abstract Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen storage materials (HSMs). Although artificial intelligence (AI) has acce...
- Materials & EnergyOpen access
Empowering PolymericMaterials Discovery by ArtificialIntelligence
Abstract Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionally challenging because material performance emerges from complex interactions among molecula...
- Materials & Energy
Abstract Magnesium oxide (MgO) is attractive for CO2 utilization, because interaction with O2. However, the electronic inertness has limited its application in electrochemical catalysis. Herein, spin-polarized dDFT calculations with the BEEF-vdW functional were performed to evalu...