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: 30th Sept 2023, 11:14:21am CEST

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

Session Chair: Qiang Zhu


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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

External Resource:
Video Link

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

External Resource:
Video Link

Come for the drug, stay for the solvent!

Ioana Sovago, Peter Wood

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

External Resource:
Video Link

Structural characterization of Cu-tpy-nucleotide ternary complexes

Suma Dilipkumar, Nethaji Munirathinam

Indian Institute of Science, Bengaluru, India

External Resource:
Video Link

CSP: Paracetamol via Grid Search & PSO

Milan Kočí

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

External Resource:
Video Link

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