Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 6th Dec 2022, 01:10:51am CET

 
 
Session Overview
Session
Poster - 03 Structure prediction: Crystal structure prediction
Time:
Sunday, 15/Aug/2021:
5:10pm - 6:10pm

Session Chair: Qiang Zhu

 


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Presentations

Poster session abstracts

Radomír Kužel



Machine Learning on Experimental Crystal Structures to parametrize Models of the Gibbs Energy in Computational Crystallography

Detlef WM Hofmann1, Liudmila LN Kuleshova2

1CRS4, Pula, Italy; 2FlexCryst, Uttenreuth, Germany



Predicting the packing behaviour of porous organic cages

Emma Helen Wolpert, Kim E Jelfs

Department of Chemistry, Imperial College London, Molecular Sciences Research Hub, White City Campus, London, W12 0BZ, UK



Come for the drug, stay for the solvent!

Ioana Sovago, Peter Wood

The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB1 2EZ, UK



Structural characterization of Cu-tpy-nucleotide ternary complexes

Suma Dilipkumar, Nethaji Munirathinam

Indian Institute of Science, Bengaluru, India



CSP: Paracetamol via Grid Search & PSO

Milan Kočí

FSNPE,Czech Technical University in Prague, Prague, Czech Republic



 
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