Poster: Harmonically Mapped Averaging for Everyone
Poster sessions are particularly prominent at academic conferences. Posters are usually one frame of a powerpoint (or similar) presentation and are represented at full resolution to make them zoomable.
Harmonically mapped averaging (HMA) is the application of mapped averaging to crystalline systems. It enables simulation to compute directly the anharmonic contribution to the properties, without noise contributed by harmonic behavior. The result is a technique for computing crystalline properties with unprecedented, transformative efficiency.
The aim of this project is to implement these methods on well-established and widely used soUware packages for simulation of crystalline systems, and furthermore to develop mapped averages for new applications of interest to the users of these systems.
SI2-SSE: Infrastructure Enabling Broad Adoption of New Methods That Yield Orders-of-Magnitude Speedup of Molecular Simulation Averaging
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