Molecular Simulation via Emscripten

• M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
• D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 2002).

The code to run molecular simulations on this site is written in C++. emscripten is used to compile the programs with WebAssembly as the target; the WebIDL Binder is used to expose an object-oriented interface to the C++ code. Performance in JavaScript is slower than the same prorgams compiled as C programs, but still dramatically faster than a native JavaScript implementation. The page runs a few steps at a time in order to return control to the browser after during the simulation.