Publication details
Úvod do optimalizací struktur molekul skrze xTB
| Title in English | Introduction to molecular structure optimization through xTB |
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| Authors | |
| Year of publication | 2025 |
| Type | Holding a workshop |
| MU Faculty or unit | |
| Citation | |
| Description | The workshop is focused on an introduction to molecular structure optimization, especially on key concepts and theories, including force fields, quantum chemistry and molecular dynamics. In the practical exercises, the xTB software will be used for molecular structure optimization and interpretation of the results, and participants will be able to prepare their own structures for optimization. |
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