IUCr Commission on Charge, Spin and Momentum Densities

Conference Program

Program & Schedule

July 15th (Sun)

16:00 -

Registration

18:00 - 18:30

Welcome Address

	Tetsuya Ishikawa	RIKEN SPring-8 Center, Japan
	Tetsuhisa Shirakawa	JASRI, Japan
	Masatoshi Arai	J-PARC, Japan
	Yasuhiko Fujii	CROSS, Japan
	Kazuyoshi Yamada	KEK-IMSS, Japan
	Makoto Sakata	President of CrSJ
	Claude Lecomte	Vice President of IUCr

18:30-19:00

Key Note Lecture

Tetsuya Ishikawa

SACLA has emerged.

19:00 -

Welcome Reception

July 16th (Mon)

8:30 - 10:30

Century's Pioneers in Charge Spin Momentum Density

Chair: Claude Lecomte (France)

	Philip Coppens	Molecules in Solids are Different from Isolated Molecules: Beyond Charge Densities to the Excited States in Molecular Crystals
	Wolf Weyrich	Charge, Spin and Momentum Densities: Their Common Theoretical Background and Aim.
	Nobuhiko Sakai	Magnetic Compton Profile: the First Step and a Step for the Future
	Béatrice Gillon	Century's Pioneers in Spin Densities

11:00 - 12:30

Introductory Talk on Quantum Beam Techniques

Chair: Youichi Murakami (Japan),

Co-Chair: Garry J. McIntyre (Australia)

	Shih-Lin Chang	Current Development and Prospective of New Synchrotron Facilities
	Kazuhisa Kakurai	Advances in Neutron Scattering Techniques - Utilization of Steady State and Pulsed Neutrons -
	Kenji Tsuda	Transmission Electron Microscopy Based Techniques for Investigating Charge/Orbital Ordered States

12:30 - 13:30

Lunch

13:30 - 15:00

Minute-long Oral for Poster Session

Chair: Yoshihiro Kuroiwa (Japan) ,

Co-Chair: Masaki Takata (Japan)

minute presentation for each poster

Order

15:00 - 18:30

Prospects in Charge Spin & Momentum Density I: Quantum Beam Applications

Chair: Eiji Nishibori (Japan) ,

Co-Chair: Keijo Hämäläinen(Finland)

	Birger Dittrich	On Combining Synchrotron Radiation and Invariom Refinement: Opportunities for High-throughput Small-molecule and Ultra-high Resolution Macromolecular Refinement
	Junpei Okada	Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering
	Mette Schmøkel	Pushing X-ray Charge Densities to the Limit: Comparative Study of CoSb3
	Kenji Tamasaku	Probing Microscopic Optical Property of Solids by X-ray Parametric Down-conversion
	Akihisa Koizumi	Electronic Structure of Heavy Fermion Compound URu2Si2 Studied by High-resolution Compton Scattering Experiment
	Takahisa Arima	All-in-all-out Magnetic Order in a Pyrochlore Iridium Oxide

19:00 -

Dinner

20:00 -

Special Session in Honor of Richard Bader

Chair: Cherif Matta (Canada)

	Claude Lecomte	Atoms In Molecules Theory, AIM: a Beautiful Theory for Analyzing Experimental and Theoretical Electron Density
	Lou Massa	Topology Applications in Quantum Chemistry & Quantum Crystallography
	Paul Ayers	Electronic Forces and Stresses in Molecules

July 17th (Tue)

8:30 - 12:00

Prospects in Charge Spin & Momentum Density II:Quantum Beam Applications

Chair: Masatoshi Arai (Japan),

Co-Chair: Je-Geun Park (Korea)

	Alan Tennant	Investigation of Three Quantum Phase Transitions using Neutron scattering
	Masaki Fujita	Dual Nature of Spin Excitations in High-T_C Cuprates Oxide
	Pengcheng Dai	Electron-hole Symmetry in the Spin Excitations of Iron Pnictide Superconductors
	Michael M. Koza	High Resolution Neutron Spectroscopy and ab initio Powder Averaged Lattice Dynamics Calculations: Complementary Tools for the Study of Complex Functional Materials
	Eric Ressouche	Magnetization distribution in URu2Si2
	Hiroyuki Ohsumi	Simultaneous Investigation on Valence and Magnetic Orderings in Multiferroic LuFe2O4

12:00 - 16:00

Lunch & Poster Session

16:00 - 18:00

Challenge in Dynamics & Kinetics:An Interplay between Experiment and Theory

Chair: Bo Iversen (Denmark),

Co-Chair: Alfred Baron (Japan)

	Herve Cailleau	Spin-state photoswitching dynamics investigated by combining ultrafast optical spectroscopy and X-ray diffraction
	Joël Mesot	Strongly Correlated Materials Research at PSI Large-scale Facilities: Muons, Neutrons and Photons
	Chikako Moriyoshi	Challenge in Capturing Instantaneous Atomic Motion in Ferroelectric Crystals Induced by Application of Electric Field: Time-Resolved Single Crystal Diffraction Study
	Yutaka Moritomo	SR investigation of Photoinduced Reaction

19:00 -

Dinner

20:00 -

Poster Session

July 18th (Wed)

Conference Tour

July 19th (Thu)

8:30 - 10:00

XFEL Science:Application to Materials Science and Biology

Chair: Kenji Tamasaku (Japan)

	Takaki Hatsui	Current Status and Future Perspective of SACLA
	Yoshinori Nishino	Coherent Imaging with XFEL
	Hideo Ago	X-ray Protein Crystallography Free from Radiation Damage at SACLA

10:30 - 12:30

Novel Magnetism & Multi Ferroics

Chair: Takahisa Arima (Japan),

Co-Chair: Eric Ressouche (France)

	Andrey Zheludev	Magnetization Distribution in Coupled Random Singlet Spin Chains
	Tim Adams	Neutron Scattering Studies of Skyrmion Lattices in Chiral Magnets
	Sylvain Petit	Spin Dynamics in Multiferroics
	Je-Geun Park	Spin Dynamics of Multiferroic BiFeO3 Single Crystal

12:30 - 15:30

Lunch & Poster Session

15:30 - 17:30

Chemical Bonding & Exotic Intermolecular Interactions

Chair: Guru Row (India),

Co-Chair: Yu Wang (Taiwan)

	Wolfgang Scherer	Can We Identify Non-classical Chemical Interactions by Charge Density Analyses?
	Konstantin Lyssenko	Evidence of the Zundel-like Character of Hydrate of Oxoethylidenediphosphonic Acid
	Mohamed Souhassou	Simultaneous Charge and Spin Densities Determination
	Krzysztof Wozniak	Differences in Charge Density Distributions of Two Polymorphs of Benzidine Dihydrochloride

18:30 -

Conference Dinner
/Sagamore Beautiful Poster Award/

July 20th (Fri)

9:00 - 11:30

What do theoreticians expect from experimentalist and vice versa ?

Chair: Jean-Michel Gillet (France),

Co-Chair: Bernardo Barbiellini (USA)

	Arun Bansil	Recent Progress in Modeling Highly Resolved Spectroscopies: Theory vs Experiment
	Mikko Hakala	Sub-nanometer Properties of Materials by Theoretical and Experimental Compton Scattering
	Carlo Gatti	Making Experiment and Theory Talking Together: Electron Delocalization Effects and Non Covalent Interactions Detection via the Source Function and the Reduced Density Gradient
	Kazuhiro Matsuda	X-ray Compton Scattering Measurements of Expanded Fluid Alkali Metals
	Simon Grabowsky	X-ray Wavefunction Refinement vs. Multipole Modelling

11:30 - 12:00

Closing Remarks

	Béatrice Gillon	Chair of the IUCr Commission on Charge Spin and Momentum Densities
	Masaki Takata	Chair of Sagamore XVII (RIKEN SPring-8 Center)

12:00-13:30

Lunch

13:30 -

Depart for Airport by Bus

Poster Session

July 16th (Mon)

13:30 - 15:00
PS-1: C. F. Matta
	Richard F. W. Bader (1932‐2012): The Pioneer of the Topological Analysis of the Charge Density and of the Quantum Theory of Atoms in molecules (QTAIM)
PS-2: C. F. Matta
	New Structures of Hydronium Cation Clusters
PS-3: J. S. M. Anderson
	SR-ZORA Formulation of the Quantum Theory of Atoms in Molecules
PS-4: C. F. Matta
	Can a Formally Zwitterionic Rhodium(I) Complex Emulate the Charge Density of a Cationic Rhodium(I) Complex? A Combined Synchrotron X-Ray and Theoretical Charge Density Study
PS-5: C. F. Matta
	The Effect of Strong External Electric Fields on Reactions Involving Proton and Hydrogen Atom Transfer PS-6: T. Kosone
PS-6: T. Kosone
	Electrostatic Potential Imaging of Pore Space in H₂ Storage Coordination Polymer: Study of Host-Guest Interplay
PS-7: L. Huang
	Anionic Hydrogen Clusters (H^-_2n+1) as a Chemical Source of Diffuse Interstellar Bands and Possible Candidates for Hydrogen Storage
PS-8: A. Fujiwara
	Insight into Novel Thermoelectric Effect by Charge-Density and Electrostatic-Potential Analysis on Type I Clathrates
PS-9: C. H. Song
	Insight into the Relation between Structural Deformation and Huge Electron Mobility in (Zn, Mg)O Thin Films
PS-10: K. Kato
	Observation of Charge Disproportionation in the Insulating State of BaV₁₀O₁₅ using Synchrotron X-ray Powder Diffraction
PS-11: P.-Y. Liao
	Resonant Multi-Wave X-Ray Diffraction Study of Charge-Ordering in Magnetite
PS-12: Y. Kubota
	Incommensurate Crystal Structure of Charge-density Wave Phase in Spinel Compound CuV₂S₄
PS-13: I. Urcelay-Olabarria
	Magnetic Symmetry and Electric Polarization on Mn_1-xCo_xWO₄ Multiferroics
PS-14: A. Stunault
	Er-Co Magnetic in Ferrimagnetic ErCo₂, Observed by Polarized Neutron Diffraction
PS-15: A. Hori
	Structure Basis of Spin-dependent O₂–O₂ Dimerization Created in the Coordination Space of a Metal Organic Framework
PS-16: H. Adachi
	Dispersion Corrections for Spin Form Factors
PS-17: M. Ito
	A Trial MEM Analysis of X-ray Magnetic Diffraction Data for Spin and Orbital Magnetic Moments of CeRh₃B₂
PS-18: B. Bagautdinov
	Viewing of Topo-polymerization with Electron Density
PS-19: M. Malinska
	Experimental Charge Density Analysis of the Nature of C-Br···N≡C Interactions in Biologically Active Compound
PS-20: W. Weyrich
	The Curious Bonding in Cuprite
PS-21: Y. Sakurai
	Evolving Electronic Structures of High-T_C Cuprates Studied by Compton Scattering
PS-22: M. ITOU
	Spin-dependent High-energy X-ray Transmission Measurements
PS-23: K. Suzuki
	Perpendicular Magnetic Anisotropy in Co/Au Multilayer Probed by Magnetic Compton Profile
PS-24: I. Juurinen
	X-ray Compton Scattering Reveals Two Solvation Regimes in Water-ethanol Mixtures
PS-25: H. Sakurai
	Magnetic Field Dependence of Magnetic Compton Profiles in Fe Film
PS-26: H. Sakurai
	Study of Electronic Structure on Highly Oriented Polyethylene by Compton Profiles and B(r) Function
PS-27: J.-J. Lee
	High Pressure Structure and Magnetism of One 1-D Molecular Magnetic Material
PS-28: G. Wesela-Bauman
	Charge Density Studies of a Model Borinic Complex
PS-29: K. N. Jarzembska
	Multi-temperature Charge Density Studies of Uracil Derivatives
PS-30: R. Kaminski
	Physicochemical Properties of Hybrid Organic-inorganic Complexes via the Charge Density Studies
PS-31: Y. V. Nelyubina
	Polymorphs and Crystals with Z '> 1: Charge Density Analysis as a Tool in Examining Intermolecular Interactions
PS-32: V. V. Novikov
	Crystal Smashing, Grinding and Dissolving: Spin Crossover in the Cobalt(II) Cage Complexes
PS-33: Y.-C. Chuang
	Charge Density Studies on Three Nickel Dithiolene Complexes
PS-34: W. A Wallace
	Unusual Properties of [Mn(Imz)₆]²⁺(NO₃^-)₂ where, Imz = Imidazole: A Polarised and Non-polarised Neutron Diffraction, EPR, DFT Study
PS-35: J. Kim
	Enhanced Electronic Polarization of Arsenic Ion in Superconducting Phase of Iron-arsenide System
PS-36: Y. H. Kim
	Quantitative investigation of ferroelectric polarization by MEM and SR powder diffraction
PS-37: M. Kubicki
	A Critical Analysis of Dipole Moment Calculations as Obtained from Experimental and Theoretical Structure Factors
PS-38: A. Q. R. Baron
	Phonon Softening in EuTiO₃
PS-39: S. Tardif
	X-ray imaging in strongly correlated electron materials: coherent diffraction and scanning microscopy