Area of research
Materials Chemistry · Atomic and Molecular Physics, and Optics
Research interest
Research interests include Machine Learning in Materials Science, Advanced Chemical Physics Studies, X-ray Diffraction in Crystallography, and Catalytic Processes in Materials Science.
Extrapolation to the complete basis-set limit in density-functional theory using statistical learning
Roadmap on data-centric materials science
Discovering dynamic laws from observations: The case of self-propelled, interacting colloids
Shared metadata for data-centric materials science
Recent advances in the SISSO method and their implementation in the SISSO++ code
Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence
Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy
Roadmap on Machine learning in electronic structure
Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides
The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence
Numerical quality control for DFT-based materials databases
Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence
Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence
Identifying domains of applicability of machine learning models for materials science
New tolerance factor to predict the stability of perovskite oxides and halides
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
Report on the sixth blind test of organic crystal structure prediction methods
Big Data of Materials Science: Critical Role of the Descriptor