no code implementations • 28 Jun 2022 • Emi Minamitani, Ippei Obayashi, Koji Shimizu, Satoshi Watanabe
A promising method to achieve this is machine-learning potentials, which is an alternative to computationally demanding ab initio calculations.
2 code implementations • 30 Jun 2017 • Ippei Obayashi, Yasuaki Hiraoka
Persistence diagrams have been widely recognized as a compact descriptor for characterizing multiscale topological features in data.