AtomSim

AtomSim is a super user-friendly app that lets you run all kinds of cool simulations on materials. You can explore different boundary conditions, whether it's 0-D (think molecules and clusters), 1-D (like polymers), 2-D (surfaces, slabs, and grain boundaries), or even 3-D (which covers periodic solids). It's like having a mini-lab right on your computer!

What Makes AtomSim Stand Out?

The main focus of AtomSim is to provide analytical solutions using lattice dynamics whenever possible. This means it’s not just about molecular dynamics—it's a bit more advanced! With this software, you can tap into various force fields tailored for different materials.

Diverse Force Fields for All Your Needs

You can use multiple force fields in AtomSim. For ionic materials, there's the shell model; for organic systems, it offers molecular mechanics; when working with metals, you can choose the embedded atom model; and if you're diving into hydrocarbons, the reactive REBO potential is at your service!

Precision with Analytic Derivatives

One of the best parts? AtomSim includes analytic derivatives that go up to at least second order for most force fields and even third order for many others. This level of detail really helps in making accurate simulations.

Ready to Get Started?

If you're interested in checking out AtomSim, head over to SoftPas, the biggest software directory out there! It’s a great place to find more info and download this fantastic tool.