60 https://www.uni-bremen.de/en/neudecker-group/teaching/computational-materials-science Computational Materials Science en University of Bremen Thu, 16 Jul 2026 16:40:48 +0200 Thu, 16 Jul 2026 16:40:48 +0200 University of Bremen content-335349 Tue, 16 Mar 2021 14:32:31 +0100 https://www.uni-bremen.de/en/neudecker-group/teaching/computational-materials-science#c335349 <p><strong>Semester:</strong> Summer semester</p> <p><strong>Study program:</strong> Master of Science Materials Chemistry and Mineralogy (Electoral, 6 CP)</p> Content content-335347 Wed, 12 Mar 2025 13:58:10 +0100 https://www.uni-bremen.de/en/neudecker-group/teaching/computational-materials-science#c335347 <ol> <li> <p>Basics</p> </li> <li> <p>The Hartree-Fock procedure</p> </li> <li> <p>Density Functional Theory</p> </li> <li> <p>Basis sets for single molecule and periodic calculations</p> </li> <li> <p>Geometry optimization techniques</p> </li> <li> <p>Bloch's theorem, reciprocal space, k-points, density of states</p> </li> <li> <p>Plane waves and the Brillouin zone</p> </li> <li> <p>Thermochemistry</p> </li> <li> <p>Stability of crystal phases</p> </li> </ol> <p>The content of the lecture will be treated in a practical course during the second half of the semester.</p> <p>This module is offered in collaboration with <a class="internalLink" href="t3://page?uid=69415" title="Opens internal link in current window">Dr. Wilke Dononelli</a>.</p> Content