Check out our Review in Frontiers in Energy Research covering recent progress in interfacial modeling of all-solid-state-batteries. We discuss the pros and cons of explicit molecular simulation methods (e.g., classical potentials, ab initio methods, and machine learning interatomic potentials) and offer perspectives on how these methods could be utilized or improved in the context of solid-state battery interfaces.

Congrats to Dr. Yang, who was recognized with the Google Research Scholar Program award for her proposal, LLM-GUAL: LLM-based Generation of User-defined Atomistic SimuLations!

We are so happy for Xinqiang, who passed his Qualifying Exam! If you see him around, be sure to ask him any questions about Material and Energy Balances, Thermodynamics, Fluid Mechanics, Heat Transfer, Mass Transfer, Separations, Reactor Design, and Chemical Kinetics and Catalysis, as he is now an expert on those topics. 🙂

Onwards to exciting science we go!

The team welcomes Jayda Howard, a biology major from Albany State University. She will be staying with the group for six weeks, working with Nick and Dr. Yang on molecular simulations and bioleaching.

Check out our latest work identifying and understanding solvent instability, now out in JPCL! When something is fishy (trimethylamine), we need to exercise caution. Our newly-developed computational workflow enables careful evaluation of emerging solvent-mixtures. All models and training data are also available here.