Quantum and Molecular Mechanics in Bullet?

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toddcpierce
Posts: 2
Joined: Fri Jan 22, 2016 3:44 pm

Quantum and Molecular Mechanics in Bullet?

Post by toddcpierce »

Hi All,

As usual, I'm going to ask about one of those holy grail type of things: if there is someone who has perhaps developed a quantum and molecular mechanics simulator with Bullet.

Maybe at least molecular dynamics? Perhaps someone got oil to spontaneously separate from water?

The reason I ask is that ROS (the robot operating system folk) are using Bullet now for simulations of their robots' their belief states. Nice. I'm using their software for a completely different (atomically small) reason and was thinking that it would be nice to run MD simulations and possibly even QM/MM simulations in the same... 'world'.

There are all kinds of command-line programs that go off the deep end in accuracy on what the force fields of particles do, so I could partly use those, since I'm only interested in the most crude results.

But only if one thing is possible:

Can the behavior of a particle in Bullet have a triggered behavior when it, say, bumps into another particle? In other words, are there opportunities to intervene programmatically in response to events?

Any help is appreciated... especially if it means you wrote all of the software already :)

Cheers,

-Todd
Andy Somogyi
Posts: 5
Joined: Mon Apr 24, 2017 6:53 pm

Re: Quantum and Molecular Mechanics in Bullet?

Post by Andy Somogyi »

I'm actually working on exactly that project.

I'm developing a new physics simulation environment which combines a particle dynamics engine with bullet.

It's still very much in the early stages, and the code is very prototype at the moment, so I don't have any publicly available code *yet*, but will once it's in better shape.

Take a look at mechanica.org

I'd like chat more about your project, see if I can get Mechanica to also work for your needs, my contact info is on the above website.
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