High-temperature trajectories

We had this idea before too, but cool to see Claude agrees. A lot of what we're trying to accomplish with this project requires a room temperature material. As comprehensive as Materials Project may be, it's all at 0 K. Who knows how many of these materials are actually stable at room temp, or the kinds of structural changes they'd undergo at higher temperatures.

Claude says:

For high-temperature trajectories paired with Materials Project structures, there are a few relevant datasets though they're somewhat limited:

1. The AIMD (Ab Initio Molecular Dynamics) database from NREL - however this mainly focuses on specific material families like perovskites.

2. The High-Throughput AIMD dataset from CMU contains some temperature-dependent trajectories, but it's fairly specialized to certain material classes.

3. NOMAD Archives has some MD trajectories, but they're not systematically linked to Materials Project IDs.

There isn't a comprehensive, systematic dataset that takes Materials Project structures and provides their high-temperature trajectories. This is actually a significant gap in available data - having validated high-temperature behavior for Materials Project entries would be extremely valuable for the community.