Programme

13.00 Registration and coffee/tea

Session 1 (chair: Adam Foster)

13.30 Martin Setvin (TU Wien, Austria)
I1. Cleaved KTaO3 surfaces studied by combined AFM/STM

14.20 Matt Watkins (University of Lincoln, United Kingdom)
C1. 3D molecular resolution at solvated Fluorite (111) surface: theory meets experiment

14.45 Julian Gaberle (University College London, United Kingdom)
C2. Combining Theory and Experiment to Study Self Assembly of Organic Molecules on an Insulating Surface

15.10 Coffee/tea break

15.40 Thomas Frederiksen (Donostia International Physics Center, Spain)
I2. First-principles transport methods for nanoelectronics

16.30 Janos Daru (Lehrstuhl fur Theoretische Chemie, Ruhr-Universitat Bochum, Germany)
C3. Solvation in 2D: Microsolvated Ions on Inert Surfaces

17.00 Close of session

Session 2 (chair: Scott Chambers)

09.00 Cecile Hebert (Ecole Polytechnique Federale de Lausanne, Switzerland)
I3. Transmission electron microscopy: new advances and why we need theory

09.50 Daniel Pingstone (University of York, United Kingdom)
C4. Polar MgO(111)/SiC(0001): atomic structure and electronic properties

10.15 Coffee/tea break

10.45 Rossitza Pentcheva (University of Duisburg-Essen, United Kingdom)
I4. Designing electronic phases at oxide interfaces for electronic, spintronic and energy applications

11.35 Georg Schusteritsch (University of Cambridge, United Kingdom)
C5. Predicting the structure of interfaces using the Ab Initio Random Structure Searching method

12.00 Lunch and discussion time

Session 3 (chair: Cecile Hebert)

14.00 Rebecca Nicholls (University of Oxford, United Kingdom)
I5. Enhancing materials design using microscopy and modelling

14.50 Edward Tait (University of Cambridge, United Kingdom)
C6. Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

15.15 Arsham Ghasemi (University of York, United Kingdom)
C7. Van der Waals interfaces: TI/superconductor and semiconductor

15.40 Coffee/tea break

16.10 Scott Chambers (Pacific Northwest National Laboratory, United States)
I6. Understanding complex phenomena at complex oxides interfaces by STEM/EELS/EDS and theoretical modeling

17.00 Close of session 

Session 4 (chair: Rebecca Nicholls)

09.00 Vlado Lazarov (University of York, United Kingdom)
I7. Structure - Functionality Correlation of Halfmetalic Materials for Spintronics

09.50 Jonathan Bean (University of York, United Kingdom)
C8. Atomic structure and electronic properties of MgO grain boundaries in tunnelling mag- netoresistive devices

10.15 Andrea Floris (University of Lincoln, United Kingdom)
C9. Mechanisms of Covalent Dimerization on a Bulk Insulating Surface

10.40 Coffee/tea break

11.10 Jamie Warner (University of Oxford, United Kingdom)
I8. The atomic structure and dynamics of defects in 2D materials

12.00 Viktor Zolyomi (University of Manchester, United Kingdom)
C10. Anomalous optical response in atomically thin InSe

12.25 Tim Naginey (University of Oxford, United Kingdom)
C11. Including the effects of atomic bonding in (S)TEM image simulation

12.50 Close of Workshop