back

The first 18 years of Reverse Monte Carlo Modelling
26-30 September, 2006
Hotel Normafa, Budapest, Hungary

PRELIMINARY PROGRAMME

26 September (Tuesday) - TUTORIAL


13:00 László PUSZTAI Reverse Monte Carlo tutorial
We meet in the Hotel lobby
Lecture(s) - practical introduction (the method, algorithm details, possible applications)

27 September (Wednesday) - TUTORIAL

Morning session László PUSZTAI
and Co. 		How to run RMC? Demonstration of several applications (basic RMCA; molecular systems; the new C++ code)
13:00 Lunch
Afternoon session Matt TUCKER
(ISIS, UK) 		Disorder in crystals: modelling total scattering data using RMC methods

28 September (Thursday)



08:50 László PUSZTAI(RISSPO HAS, Hungary) Opening and introduction
09:00 Pál JÓVÁRI(RISSPO HAS,Hungary) On the structure of some covalent glasses: neutron and X-ray diffraction and EXAFS + RMC modelling
09:45 Toshio KAWAHARA (University of Osaka, Japan) Possibility of Reverse Monte Carlo Modelling of Amorphous Si Deposited on the Reactive Ion Etched Si Substrate
10:15 Erzsébet SVÁB(RISSPO, HAS, Hungary) Network structure of multi-component borosilicate waste glasses from high Q neutron diffraction study and RMC modelling
10:45 Coffee
11:15 Takashi ARAI (National Defence Academy, Japan) Structural changes of c/a- Ge2Sb2Te5 due to RMC analysis with EXAFS and XRD data
11:45 Sándor KUGLER (TU Budapest, Hungary) Amorphous selenium - Molecular Dynamics vc. RMC
12:15-
12:45 		János LÁBÁR (RITPM HAS, Budapest) Electron diffraction: a possible open field for structural modelling?

13:00 Lunch
14:30 Matt TUCKER (ISIS, UK) Determining disorder in crystalline materials using RMCprofile
15:00 Dave KEEN (ISIS, UK) Local structural disorder associated with negative thermal expansion and piezoelectricity
15:30 Andrew GOODWIN (University of Cambridge, UK) Lattice and spin dynamics from diffraction
16:00 Coffee with posters Shuta TAHARA (J)
László TEMLEITNER (H)
Ivan KABAN (D)
Joanna ROPKA (CH)
Ádám LŐRINCZI (RO)
Viviana CRISTIGLIO (F)
Szilvia POTHOCZKI (H)
Thor WIKFELDT (S)
Yixin CHEN (UK)
Vicky FITZGERALD (UK)
Katsumi HAGITA (J)
Gergely TÓTH (H)
Helen THOMPSON (UK)
Margit FÁBIÁN (H) ...
17:00 Simon BILLINGE (Michigan State University,USA) Real Space Rietveld and other PDF profile refinement strategies

29 September (Friday)

09:00 Gergely TÓTH (Eötvös University, Hungary) Interactions from structural data: historical overview of simulation assisted methods
09:30 Alan SOPER (ISIS, UK) Empirical potential structure refinement: where it came from, what it does, and why
10:15 Sylvia McLAIN (ISIS, UK) The structure of amino acids in aqueous solution: A combined neutron diffraction and empirical potential structure refinement study
10:45 Coffee
11:15 Ildikó HARSÁNYI (RISSPO, HAS)... The structure of aqueous RbBr solutions by molecular dynamics and RMC modelling
11:45 Barbara GABRYS (University of Oxford, UK) On the structure of liquid phosphorous tribromide (PBr3)
12:15-
12:45 		László TEMLEITNER (RISSPO, HAS) The structure of fluid phases of carbon dioxide (CO2)
13:00 Lunch
14:30 László PUSZTAI (RISSPO HAS, Hungary) Water structure: do polarised neutrons help?
15:00 Yukinobu KAWAKITA (Kyushu University, Japan) Comparison in the partial structures between superionic melts of AgI and CuI and non-superionic melt of AgCl
15:30 Coffee with posters
16:30 Discussion (proceedings: RMC-4!!!)

30 September (Saturday)

09:00 Orsolya GEREBEN (HU) RMCt - modelling the dynamic sructure factor via RMC methods
09:45 Frederick BERNARDIN (MIT, USA) Polyethylene melt structure using empirical potentials (and how thermodynamics solves the 'uniqueness problem')
10:15 Per ZETTERSTRÖM (CSIC, Spain) A study of nano-porous carbon using neutron diffraction and RMC
10:45 Coffee
11:15 Sascha GRUNER (TU Chemnitz, Germany) Determination of partial structure factors in multi-component alloys
11:45 Robert McGREEVY (ISIS, UK) RMC: past, present, future (Conference summary)
13:00 CLOSING and lunch

Thank you for participating the conference and visiting the Website
If you have any suggestions please contact us:
laci, temla or ildi