MS34: Computer Simulation of Molecular Interactions and Crystal Structures
Chairs
- Martin Schmidt (University of Frankfurt, Germany)
- Sarah L. Price (University College London, United Kingdom)
Details
- Date: Thursday, 22. August 2019
- Time: 10:00 - 12:00
- Venue: HS7
All topics related to calculation and prediction of crystal structures of organic compounds and their
applications.
| 10:00 | MS34-01 | Towards the Design of Molecular Materials Jan Gerit Brandenburg (Heidelberg University, Germany) | Abstract preview |
| 10:30 | MS34-02 | Towards Crystal Structure Solution of Organic Compounds by fit to the Pair Distribution Function without Prior Knowledge of Space Group and Lattice Parameters |
| 11:00 | MS34-03 | CLPdyn: A Cheap and Reliable Tool for Molecular Dynamics Studies of Organic Molecules in Condensed Phase Leonardo Lo Presti (Università degli Studi di Milano, Italy) | Abstract preview |
| 11:20 | MS34-04 | Computational Protocol for Simulating the Anisotropic Lattice Expansion in Organic Crystals Andrea Ienco (CNR-ICCOM, Italy) | Abstract preview |
| 11:40 | MS34-05 | Analysing Aromatic Interactions: Clarity out of Complexity Ioana Sovago (Cambridge Crystallographic Data Centre, United Kingdom) | Abstract preview |