Hacking Materials Research Group
chemistry (1040) zimmermann (386) process engineering (117) computation (85) chemical engineering (79) physical chemistry (14) nils zimmermann (1) nils e. r. zimmermann (1) nils edvin richard zimmermann (1) chemical reaction engineering (1)
Publications
Our paper introducing new coordination descriptors and crystal structure fingerprints has been selected for the highlights of the RSC Advances 10th Anniversary collections: Machine learning and artificial neural networks in chemistry . The paper can also be viewed as my most successful article because it attracted most citations per time and author (click onto image on the right). I think that this underscores the importance to work on useful and physically meaningful descriptors when it comes to machine le
We have published our paper that introduces a new method (CrystalNN) to calculate coordination numbers (CNs) with Inorganic Chemistry . The new method comes along with a benchmark suite ( MaterialsCoord ) and MaterialsCoord's application to test different CN methods on many different inorganic materials (elemental, binaries, terneries). Our new method performs similarly well as other estabilished methods, including frequently used approaches such as distance and Voronoi-based methods as well as Jmol , ECoN
Hacking Materials Research Group