萝莉社

Claudia Draxl is Einstein Professor at the Humboldt-Universität zu Berlin. Her research interests cover theorectical concepts and methodology to get insight into a variety of materials and their properties. She is developer of the all-electron full-potential package exciting, implementing density-functional theory (DFT) and methods beyond, with a focus on theoretical spectroscopy. A recently devloped package is the cluster-expansion code CELL. Actual research projects concern organic/inorganic hybrid structures, wide-gap oxides, thermoelectricity, solar-cell materials, film growth, excitation dynamics, and more. She is the chairperson of of the consortium FAIRmat (https://fair-di.eu/fairmat), which develops NOMAD, an open-access library of materials data (Novel Materials Discovery, https://nomad-lab.eu). Based on this, her data-driven research aims at finding structure in Big Data of materials science.

Prof. Kim Jelfs is a Professor in the Department of Chemistry at Imperial College. Her group specialises in the use of computer simulations to assist in the discovery of supramolecular materials, particularly porous materials and organic electronics. Her research includes the development of open-source software to automate the assembly and testing of materials, with the application of artificial intelligence techniques including an evolutionary algorithm and machine learning.

Miriam studied pharmacy at the University of Technology Braunschweig. After her diploma thesis in the are of biochemistry she joined the group of Prof. Knut Baumann in 2013 for her PhD studies in the field of Cheminformatics. She worked on class-probability estimation of machine learning methods and their influence on applicability domain estimation. In 2017 Miriam joined BASF as computational toxicologist where she worked on several projects related to (eco)-toxicological profiling of compounds, physico-chemical property and bioactivity prediction. In addition she worked on synthesis planning and de-novo molecule design projects. Miriam is currently leading the Cheminformatics team at BASF.

Chris Pickard is the inaugural Sir Alan Cottrell Professor of Materials Science in the Department of Materials Science and Metallurgy, University of Cambridge.
 
Previously he was Professor of Physics, University College London, and Reader in Physics, University of St Andrews. He has held EPSRC Advanced and Leadership Research Fellowships, and a Royal Society Wolfson Research Merit Award.
 
He is a lead developer of the widely used CASTEP computer code, and introduced both the GIPAW approach to the prediction of magnetic resonance parameters and Ab Initio Random Structure Searching (AIRSS). CASTEP has provided a significant source of licencing income for Cambridge Enterprise for over 20 years, while his AIRSS software is freely available through an open-source license.
 
In 2015 he won the Rayleigh Medal and Prize of the Institute of Physics, awarded for distinguished research in theoretical, mathematical or computational physics.

Aron Walsh holds the Chair of Materials Design at Imperial College London. His research combines technique development and applications at the interface between solid-state chemistry and physics. He was awarded the EU-40 prize from the Materials Research Society for his work on the theory of solar energy materials, and the Corday-Morgan Prize for his contributions to computational chemistry. He is an Associate Editor for the Journal of the American Chemical Society covering energy materials and artificial intelligence.