ID: 1959
/ Poster - 32 Theory: 1
Poster session abstracts
Poster
Poster session abstracts
Radomír Kužel
ID: 1072
/ Poster - 32 Theory: 2
Theory, computation, modelling, data, standards
Poster
MS: Generalizations of crystallographic groups and their applicationsKeywords: domain-interface, topological defect, coset graph, group theory
Algebraic analysis of topological domain-interface defects in crystals
James H. McKenzie, Branton J. Campbell
Brigham Young University, Provo, United States of America
ID: 1539
/ Poster - 32 Theory: 3
Theory, computation, modelling, data, standards
Poster
Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: Pair distrubution function, perovskites, modelling, Glazer tilt
Local structure representation beyond symmetry constraints: Glazer tilts in perovskites
Sandra H. Skjaervoe, Simon J. L. Billinge
Columbia University, New York
ID: 1493
/ Poster - 32 Theory: 4
Poster sessions
Poster
Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: cocrystal, machine-learning, molecular informatics
A comparative research between atomic-based and chemical calculation-based descriptor for cocrystal screening machine learning model
Yingquan Hao, Ying-Chieh Hung, Yusuke Shimoyama
Tokyo Institute of Technology, Tokyo, Japan
ID: 786
/ Poster - 32 Theory: 5
All topics
Oral/poster
MS: Combining X-ray diffraction and spectroscopy to characterise materialsKeywords: structure, dynamics, DFT, nanoconfinement
SPECIFIC WATER STRUCTURE IN A GEO-INSPIRED NANOTUBE AND INTERRELATED DYNAMICS
Geoffrey Monet1, Arianna D'Angelo1,2, Erwan Paineau1, Gilberto teobaldi3, Stéphane Rols2, Pascale Launois1
1Laboratoire de Physique des Solides, CNRS, université Paris-Saclay, Orsay, France; 2Institut Laue-Langevin, Grenoble, France; 3STFC, Daresbury laboratory, UK
ID: 1346
/ Poster - 32 Theory: 6
Theory, computation, modelling, data, standards
Poster
MS: Beyond pure point diffraction: Theory and application of diffuse scattering, Crystal structure predictionPosters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: dynamical theory of X-ray diffraction, diffuse scattering, microdefects, primary extinction, Bragg diffraction geometry
Dynamical effects in the integrated X-ray scattering intensity from single crystals with microdefects in Bragg diffraction geometry
Sergey Dmitriev, Vadim Molodkin, Stepan Olikhovskii, Vyacheslav Lizunov
1G.V. Kurdyumov Institute for Metal Physics, N.A.S. of Ukraine, Kyiv, Ukraine
ID: 1670
/ Poster - 32 Theory: 7
Physics and fundamental crystallography
Poster
Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics)Keywords: general position, equal phases, approximate structure
Result of using atoms and centrosymmetric cubic space groups
Pui Sum Yuen
Nil, HONG KONG, Hong Kong S.A.R. (China)
ID: 1855
/ Poster - 32 Theory: 8
Theory, computation, modelling, data, standards
Poster
Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics)Keywords: approximate structure; constraints; combinations;
Determination of structure of CoS2 by the means of a simple new method; a solution to the phase problem for centrosymmetric cubic crystals
Pui Sum Yuen
Nil, HONG KONG, Hong Kong S.A.R. (China)
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