Just another WordPress site - Ruhr-Universität Bochum
2024
- E. Ibrahim, Y. Lysogorskiy, R. Drautz. Efficient parametrization of transferable atomic cluster expansion for water. Journal of Chemical Theory and Computation, 20, 11049−11057, (2024)
- A. Bochkarev, Y. Lysogorskiy, R. Drautz. Graph atomic cluster expansion for semilocal interactions beyond equivariant message passing. Physical Review X, 14, 021036, (2024)
- M. Rinaldi, M. Mrovec, A. Bochkarev et al. Non-collinear magnetic atomic cluster expansion for iron. npj Computational Materials, 10, 12, (2024)