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个人简介

Sam is a lecturer in the Department of Chemistry and Materials Innovation Factory (MIF) at the University of Liverpool. She obtained her PhD in structural chemistry from the University of Birmingham, working with Dr. Maryjane Tremayne. Her doctoral research involved the development of evolutionary algorithms for structure determination of crystalline materials from powder diffraction data. She continued to carry out postdoctoral research on the impact of solvent on the crystalline forms adopted by pharmaceutical compounds, before moving into educational software development in the commercial sector. Sam joined the University of Liverpool as a postdoc in 2008, working with Matt Rosseinsky on local structure analysis of disordered crystalline materials using total scattering methods, and the characterisation of guest-responsive metal-organic frameworks using powder X-ray diffraction. She subsequently moved to Andy Cooper’s group to work with porous organic molecular materials, particularly using in situ studies of porous organic cage crystals to understand their functional behaviour and advance design principles for molecular organic materials. Sam joined the Materials Innovation Factory in November 2016. She is an Engineering Village representative on the Diamond Light Source User Committee and received an International Union of Crystallography Young Scientist Award in 2015. Her research focuses on the study of structure–function relationships in functional organic crystals and the development of efficient powder diffraction methods for accelerated materials discovery. Invited talk (Invitation to Speak, UK MOF Symposium (British Zeolite Association) 2017) Invited talk (Invitation to Speak, Topological Data Analysis in Material Science and Engineering workshop, University of Strathclyde 2016) Young Scientist Award (International Union of Crystallography 2015) Invited talk - research symposium (Invitation to Speak, Department of Chemistry, University of Nottingham 2015) Keynote talk (Invitation to Speak, European Powder Diffraction Conference 2014) Diamond User Committee, Engineering Village representative, Diamond Light Source.

研究领域

Powder diffraction techniques Crystal engineering Small molecule, MOF crystallography In situ methods for functional organic materials Total scattering methods for disordered crystalline materials Computational crystallography

近期论文

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Separation of rare gases and chiral molecules by selective binding in porous organic cages (Journal article - 2014) Three-dimensional protonic conductivity in porous organic cage solids (Journal article - 2016) Porous organic cages (Journal article - 2009) Reticular synthesis of porous molecular 1D nanotubes and 3D networks Periphery-Functionalized Porous Organic Cages Porous Organic Cages for Sulfur Hexafluoride Separation Rapid Screening of Calcium Carbonate Precipitation in the Presence of Amino Acids: Kinetics, Structure, and Composition Synthesis of chemically stable covalent organic frameworks in water Understanding static, dynamic and cooperative porosity in molecular materials Trapping virtual pores by crystal retro-engineering Tunable Porosity through Cooperative Diffusion in a Multicomponent Porous Molecular Crystal Acid- and Base-Stable Porous Organic Cages: Shape Persistence and pH Stability via Post-synthetic "Tying" of a Flexible Amine Cage Controlling the Crystallization of Porous Organic Cages: Molecular Analogs of Isoreticular Frameworks Using Shape-Specific Directing Solvents Guest control of structure in porous organic cages Local Crystal Structure of Antiferroelectric Bi2Mn4/3Ni2/3O6 in Commensurate and Incommensurate Phases Described by Pair Distribution Function (PDF) and Reverse Monte Carlo (RMC) Modeling Predicted crystal energy landscapes of porous organic cages Swellable, Water- and Acid-Tolerant Polymer Sponges for Chemoselective Carbon Dioxide Capture Triazine-Based Graphitic Carbon Nitride: a Two-Dimensional Semiconductor Dynamic Nuclear Polarization NMR Spectroscopy Allows High-Throughput Characterization of Microporous Organic Polymers Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids Molecular shape sorting using molecular organic cages Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods Tuning of gallery heights in a crystalline 2D carbon nitride network Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal–Organic Framework Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material

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