PRELIMINARY PROGRAM
(For the printable timetable, please visit this link. )THURSDAY (20TH SEPTEMBER) | |
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8:50 | László Pusztai Introduction and Welcome |
9:00 | David Keen Thirty years of RMC: An introduction and review of recent developments |
9:30 | Pál Jóvári Short range order in covalent glasses - problems and possible solutions |
10:00 | Matt Tucker RMCProfile: Moving closer to complex modelling |
10:30 | COFFEE |
11:00 | Ildikó Pethes On the structure of highly concentrated aqueous lithium chloride solutions from a combination of RMC and MD techniques and 29 interatomic potential models |
11:20 | Tom Farmer Tailoring molecular potentials for dynamics using quasi-elastic neutron scattering |
11:40 | Szilvia Pothoczki Temperature-induced changes in the hydrogen-bond network of isopropanol-water mixtures at low isopropanol concentration |
12:00 | Joe Paddison Understanding Spin Liquids using RMC Refinement |
12:20 | Mark Wilkinson Analysis of Rhenium Trioxide as a model for using a phonon-based displacement methodology in RMC |
12:40 | LUNCH |
14:10 | Janis Timoshenko Deciphering the structure of metallic nanoparticles using reverse Monte Carlo method, molecular dynamics and machine learning |
14:30 | Helen Playford Insights into Stacking Disorder in Ice I using Pair Distribution Functions |
14:50 | Harry Geddes Compositional inhomonogeity in mixed-metal MOFs |
15:10 | Phillip Maffettone Amorphous zeolitic imidazolate frameworks with D4h local symmetry |
15:30 | COFFEE and POSTERS |
16:20 | Nick Funnell High-pressure total scattering at ISIS |
16:40 | Karen Appel New perspectives for high energy density science studies using free electron laser (FEL) light source |
17:00 | Gyula Faigel The possibility of structural studies by a single XFEL pulse |
17:30 | END |
FRIDAY (21ST SEPTEMBER) | |
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9:00 | Andrew Goodwin When does RMC work? When does RMC fail? (A personal perspective) |
9:30 | Martin Dove Neutron total scattering studies of three multiferroic crystals |
10:00 | Alexei Kuzmin Disorder effects in EXAFS spectra: molecular dynamics vs reverse Monte Carlo simulations |
10:20 | Angela Trapananti Structural refinement of molecular and condensed systems by RMC-GNXAS: recent advances and applications |
10:40 | COFFEE |
11:10 | Karel Saksl Atomic structure of Ca-based metallic glasses |
11:30 | Shinya Hosokawa Partial structures of the traditional bulk metallic glass Pd40Ni40P20 |
11:50 | Stefan Michalik Binary Cu-Hf metallic glasses investigated by the reverse Monte Carlo simulation and Voronoi analysis |
12:10 | Yohei Onodera Modification of Phosphate Network in binary zinc phosphate glass |
12:30 | LUNCH |
14:00 | Wojciech Slawinski RMCProfile7: Reverse Monte Carlo program for modelling of multiphase systems |
14:20 | Guanqun Cai Experiments with RMCprofile 7: multiphase RMC |
14:40 | Victor Krayzmann Combined-technique structure refinements in RMCProfile |
15:00 | Tomotaka Nakatani Evaluation of dispersion state of silica particles in rubber during elongation using RMC modelling |
15:20 | Rupert Tscheließnig How proteins scatter - fractal aspects |
15:40 | COFFEE and POSTERS |
16:20 | Naoto Kitamura Local Structure Analysis on Na0.5Bi0.5TiO3-Based Materials with Perovskite Structure |
16:40 | László Temleitner Studying the structure of Li-salts using molecular dynamics and Reverse Monte Carlo methods |
17:00 | Jiaxun Liu Local structure of lead halide perovskites for photovoltaic applications |
17:20 | Marshall McDonnell Guest-Host Interactions in Mixed CH4-CO2 Hydrates: Neutron total scattering and computational modeling |
17:40 | END |
SATURDAY (22ND SEPTEMBER) | |
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9:00 | Markus Winterer Dopant Position in Inorganic Semiconductor Nanoparticles from Reverse Monte Carlo (RMC) analysis of Extended X-ray Absorption Fine Structure (EXAFS) Spectra |
9:20 | Inga Jonane Treatment of disorder in XANES by RMC simulations |
9:40 | Lei Tan RMC for nanoclusters |
10:00 | Andris Anspoks Reverse Monte Carlo CuO local structure studies across magnetic transitions (T = 10-300K) from EXAFS data |
10:20 | COFFEE |
10:50 | Lewis Owen Local effects in crystalline alloys using RMC |
11:10 | Hiroki Yamada Structural Evolution of Amorphous Precursors towards Zeolites Visualized by in-situ Relative PDF Approach |
11:30 | Benjamin Klee Molecular RMC simulation on amorphous [(PhSn)4S6] without using potentials |
11:50 | Matt Tucker Closing comments and Summary: the next 30 years of RMC modelling |
12:30 | LUNCH |