1 code implementation • 13 Jun 2023 • Kirk Swanson, Jake Williams, Eric Jonas
The resulting distribution on geometries $p(x)$ is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution.
no code implementations • 10 Sep 2019 • Kirk Swanson, Shubhendu Trivedi, Joshua Lequieu, Kyle Swanson, Risi Kondor
The characterization of amorphous materials is especially challenging because their lack of long-range order makes it difficult to define structural metrics.