MOLECULAR DYNAMICS SIMULATION

Mar 28 2025SCIENCE

Nanoparticles: The Tiny Helpers Boosting Concrete's Strength

Concrete is a big deal in construction. It is super strong and lasts a long time. But it has a weakness: it isn't great at handling pressure. This limits how it can be used in buildings. To fix this, scientists have been adding tiny particles called carbon nanoparticles to concrete. These particles are so small that they can't be seen with the naked eye. They can mak...

reading time about 1 minute
Mar 11 2025SCIENCE

Unlocking Multiple Pathways in Biomolecules

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 ...

reading time about 3 minutes
Mar 11 2025SCIENCE

What's Happening Inside Your Battery?

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...

reading time about 1 minute
Feb 14 2025TECHNOLOGY

Simulating the Future: How MBX v1. 2 Speeds Up Molecular Dynamics

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...

reading time about 1 minute
Dec 19 2024ENVIRONMENT

How Microplastics Help Antibiotics Travel in Groundwater

You’ve probably heard that microplastics (MPs) are bad for the environment, but did you know they also help antibiotics move around in groundwater? This happens because MPs can carry antibiotics like oxytetracycline (OTC) as they journey through soil and surface water. According to research, this means that antibiotics can spread even further and cause more harm to e...

reading time about 1 minute