Presentations

Invited talks

4. Periodic DFT calculations and metal-organic frameworks. Max Planck Institute for Solid State Research, Stuttgart, Germany. 3 October 2018

3. Computational design of organic and metal-organic materials – prediction of structures and properties. Department of Chemical Engineering, University of Leeds, UK. 2 October 2017

2. Rationalisation of the colour properties of fluorescein in the solid state: a combined computational and experimental study. Department of Chemistry, University of Warsaw, Poland. 15 December 2015

1. In silico Design of Multi-Component Organic Luminescent Materials. Department of Chemistry, University of Warsaw, Poland. 17 November 2015

Conference talks

7. Ab initio crystal structure prediction of metal-organic frameworks 102nd Canadian Chemistry Conference and Exhibition (CCCE). Quebec City, Canada. 4 June 2019

6. Periodic DFT calculations for predicting structures, properties and reactivity of metal-organic materials. ACS Fall meeting, Boston, USA. 23 August 2018

5. Towards prediction of structure, topology and stability of metal-organic frameworks. CEMWOQ 5, Montreal, Canada. 18 July 2018

4. Theoretical evaluation of thermodynamic stability of ZIF topologies using periodic DFT calculations. 100th CSC, Toronto, Canada. 30 June 2017

3. Combined use of solid-state NMR spectroscopy and theoretical modelling as a method of structure determination. ACA annual meeting, New Orleans, LA, USA. 28 June 2017

2. Colour properties of fluorescein: an interplay of tautomerism and crystal packing. ICCOSS XXII, Niigata, Japan. 16 July 2015

1. In Silico Design of Multi-Component Organic Luminescent Materials. GRS Crystal Engineering, Waterville Valley, NH, USA. 30 May 2014

Conference posters

7. Ab initio crystal structure prediction of metal-organic frameworks 102nd CEMWOQ-6, Montreal, Canada. 31 May 2019

6. Structure prediction, topological analysis and assessment of energetic properties of nitrogen-rich metal azolate frameworks. Methods and applications of crystal structure prediction Faraday Discussion, Cambridge, UK. 11 July 2018

5. Towards prediction of structure, topology and stability of metal-organic frameworks. GRC Crystal Engineering, Newry, ME, USA. 24 June 2018

4. Multi-Component Solid Solutions Composed of Theophylline and Structural Isomers of Fluorobenzoic Acids. ICCOSS XXIII, Stellenbosch, South Africa. 5 April 2017

3. Colour Properties of fluorescein: an interplay of tautomerism and crystal packing. GRC Crystal Engineering, Waterville Valley, NH, USA. 2 June 2014

2. Computational Design of Organic Luminescent Materials. ICCOSS XXI, Oxford, UK. 6 August 2013

1. Use of powder X-ray diffraction to study solid state reactivity of cocrystals. EPDIC13, Grenoble, France. 30 October 2012