On the Hardness of Energy Minimisation for Crystal Structure Prediction.

Duncan Adamson Argyrios Deligkas Vladimir V. Gusev Igor Potapov

Published in: CoRR (2019)

Keyphrases

databases
decision trees
computational complexity
prediction error
prediction algorithm
information retrieval
special case
np complete
energy minimization
prediction model
learning theory
graph structure
geometric structure
energy landscape