The Li2S–P2S5 pseudo-binary system has been a valuable source of promising superionic
conductors, with α-Li3PS4, β-Li3PS4, HT-Li7PS6, and Li7P3S11 having excellent room …

Since the 1980s, the paddlewheel effect has been suggested as a mechanism to boost
lithium-ion diffusion in inorganic materials via the rotation of rotor-like anion groups …

We present for the first time a multiscale machine learning approach to jointly simulate
atomic structure and dynamics with the corresponding solid state Nuclear Magnetic …

Non-crystalline solid materials have attracted growing attention in energy storage for their
desirable properties such as ionic conductivity, stability, and processability. However …

Compositionally complex materials have emerged as new frontier for sustainable energy
storage and conversion. There are many unique features of compositional complex energy …

Understanding the ionic conduction mechanisms in solid electrolyte glasses and glass-
ceramics is an important task for improving the performance of next-generation all-solid …

Understanding the atomistic mechanism of ion conduction in solid electrolytes is critical for
the advancement of all-solid-state batteries. Glass-ceramics, which undergo crystallization …

Electrochemical degradation of solid electrolytes is a major roadblock in the development of
solid-state batteries. Combining X-ray absorption spectroscopy characterization, first …

Two new alkaline metal thioboratephosphates, RbB3P2S10 and CsB3P2S10, have been
designed and fabricated by the flux method. The two compounds are composed of alkali …

We introduce LiFlow, a generative framework to accelerate molecular dynamics (MD)
simulations for crystalline materials that formulates the task as conditional generation of …