Blog
Notes on molecular dynamics
What we're building, what's happening in MD, and the craft of running LAMMPS without the infrastructure drama.
Science 5 min read
Molecular dynamics just got faster — and LAMMPS is getting it
A new fast-Ewald method from the Flatiron Institute speeds up classical MD 2.5–7× without losing accuracy — and it's been accepted into LAMMPS. We dug into the math and ran a crystal-melt job in QuickMDSim to illustrate it.
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What QuickMDSim is — and why we're building it
A browser workbench and job runner for LAMMPS. Write inputs, submit jobs, download results — without the cluster tax. Here's the honest version of what we're building and why.
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