QuickMDSim runs LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) in the cloud. You write the same input script you would use on a cluster, submit it from the browser, and download the log and trajectory when the run finishes.
What it is
Molecular dynamics (MD) integrates Newton's equations for a
set of atoms. LAMMPS is the usual engine for classical MD in materials and
soft matter. A run is defined by an input script (commands such as
pair_style, fix, run) plus any
topology or potential files the script names.
The loop in QuickMDSim is the same as on a cluster, without the queue:
- Create a project so inputs, runs, and outputs stay together.
- Edit the LAMMPS input in the browser. There is no separate GUI language.
- Submit. The job runs in a container that executes
lmp. - Download the log and dump files. A dump is a trajectory of atom positions.
Billing is in CPU-hour credits: wall time multiplied by the number of cores (GPU jobs use a published multiplier). A free allocation is added after email verification.
CPU and GPU
Free and Basic plans run on CPU (1 core on Free; up to 4 on paid CPU).
Pro can run on an NVIDIA L4 GPU through LAMMPS KOKKOS, a
performance-portability layer that executes pair styles on the device.
The input does not need /kk suffixes; the GPU runner adds them.
Details are in GPU (KOKKOS). ReaxFF, MEAM, and
machine-learned potentials are not in the current images.
Why a cloud runner
Most delay between a finished input and a first trajectory is not physics. It is waiting on a shared queue, loading modules, or standing up a cloud instance. QuickMDSim is for people who already write LAMMPS inputs and want that wait to be minutes:
- students and postdocs who run short-to-medium jobs daily;
- labs that do not want to operate a cluster;
- groups that need isolated jobs for a course or a validation study.
It is not a 10,000-core production allocation, not a force-field generator, and not an “AI discovery” product. The limit that matters is credits and the compiled LAMMPS packages.
Status
The app is live at app.quickmdsim.com. If a workflow does not fit, email us.