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Programme

Monday

10:20 Coffee in the Mathematics Institute Common Room
11:00 Fred Manby Connecting wavefunctions and density functional theory
11:40 Gero Friesecke Pair densities in density functional theory
12:30 Buffet Lunch in the Mathematics Institute Common Room
15:20 Alessandro De Vita Predicting QM-accurate forces for chemo-mechanical materials modelling

16:00 Jiangfeng Lu Stochastic algorithms for high dimensional quantum systems
16:40 Ralf Drautz From density functional theory to magnetic analytic bond order potentials
18:00 Buffet Dinner in the Mathematics Common Room

Tuesday

09:00 Roger Haydock An exact independent electron method for interacting electrons
09:40 George Booth Combining 'Chemistry' and 'Physics' approachesfor stronger correlation?
10:20 Coffee in the Mathematics Institute Common Room
11:00 Albert Bartok Learning interactions from microscopic observables
11:40 Faizan Nazar Locality of Electronic Structure Models
12:30 Buffet Lunch in the Mathematics Institute Common Room
15:20 Dallas Trinkle Dislocation cores and defect interactions from first principles: Current state of the art and new challenges
16:00 Lin Lin Green's function embedding
16:40 Alexey Sokol Point defects in wide-gap semiconductors from hybrid QM/MM embedded cluster calculations

Wednesday

09:00 Thierry Deutsch The Flexibility of Daubechies Wavelets for Electronic Structure Calculations
09:40 Genevieve Dusson A posteriori error analysis and post-processing methods for linear and nonlinear eigenvalue problems
10:20 Coffee in the Mathematics Institute Common Room
11:00 David Gontier Supercell method for the simulation of insulators without and with defects
11:40 Salma Lahbabi A mean-field model for disordered crystals
12:30 Buffet Lunch in the Mathematics Institute Common Room
15:20 Organised Walk/Free afternoon

Thursday

09:00 Huajie Chen Numerical Analysis of Finite Temperature DFT
09:40 Antoine Levitt Numerical analysis of Brillouin zone integration methods
10:20 Coffee in the Mathematics Institute Common Room
11:00 Eric Polizzi FEAST-based scalable algorithms for real-space and real-time first-principle calculations
11:40 Reinhold Schneider Combination of Tensor Networks (QC-DMRG) with a Coupled Cluster Method
12:30 Buffet Lunch in the Mathematics Institute Common Room
15:20 Short talks by Students and Postdocs
18:30 Conference Dinner at The Cross, Kenilworth

Friday

09:00 James Kermode Multiscale modelling of rare events in materials chemomechanics
09:40 Daniel Urban DFT inspired materials design: Towards Z phase-strengthened 12% Cr ferritic-martensitic steels
10:20 Coffee in the Mathematics Institute Common Room
11:00 Yvon Maday Title tba
11:40 Garnet Chan Representations and complexity of classical and quantum simulations of electronic structure
12:30 Buffet Lunch in the Mathematics Institute Common Room