Computational Chemistry Software at ZIB.
Please always quote using this URN: urn:nbn:de:0297-zib-4879
- The following report intends to provide a survey over the computational chemistry molecular structure software installed on the supercomputers CRAY X-MP/216 and CRAY Y-MP2E/164 at ZIB. It shows what kind of problems can be tackled with the existing chemistry software, which covers a wide range of ab initio, semiempirical, molecular mechanics, and dynamics applications.
| Author: | Klaus Schöffel |
|---|---|
| Document Type: | ZIB-Report |
| Date of first Publication: | 1992/03/11 |
| Series (Serial Number): | ZIB-Report (TR-92-02) |
| ZIB-Reportnumber: | TR-92-02 |
