Conference Agenda

Session
Poster - 32 Theory: Theoretical crystallography
Time:
Wednesday, 18/Aug/2021:
5:10pm - 6:10pm


 


Presentations

Poster session abstracts

Radomír Kužel



Algebraic analysis of topological domain-interface defects in crystals

James H. McKenzie, Branton J. Campbell

Brigham Young University, Provo, United States of America



Local structure representation beyond symmetry constraints: Glazer tilts in perovskites

Sandra H. Skjaervoe, Simon J. L. Billinge

Columbia University, New York



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



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



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



Result of using atoms and centrosymmetric cubic space groups

Pui Sum Yuen

Nil, HONG KONG, Hong Kong S.A.R. (China)



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)