Lithium-ion batteries are everywhere, powering our phones and electric cars. But have you ever wondered what makes them tick? Let's dive into the world of spinel LiMn2O4, or LMO for short. This material is like a superhighway for lithium ions, but the rules of the road aren't fully understood. First off, lithium ions don't just float around freely. They have to deal...

Scientists have been working hard to understand how complex biomolecules change shape. These shape-shifting molecules are crucial for many biological processes. One big challenge is finding the easiest paths these molecules take to change from one shape to another. These paths are called low free energy paths, or LFEPs. Finding these paths is tough because molecules ...

Batteries are getting a makeover. Scientists are diving deep into the world of polymer electrolytes (PEs) to boost the performance of solid-state batteries. These PEs are like the superhighways for ions, the tiny charged particles that make batteries work. The big question is, how do these highways work best? The secret lies in how the different parts of the PE inte...

Molecular dynamics simulations have always been a key tool for scientists. These simulations help us understand how molecules behave and interact. Enter MBX, a software that has been around for about ten years. It uses advanced techniques to make these simulations more accurate. MBX stands out because it uses something called data-driven many-body potential energy f...