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Charles Richard Arthur CatlowView profile

Professor

• Silicate structural chemistry
• Computer modelling of inorganic materials
• Defect physics and chemistry of solid materials
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Professor Charles Richard Arthur Catlow is a leading figure in the fields of computational chemistry and materials science, currently affiliated with University College London (UCL) as a Professor in the Department of Chemistry within the Faculty of Mathematical and Physical Sciences. He has held prominent roles such as Dean of the Faculty (2007), Head of the Chemistry Department (2002–2007), and Director of the Davy Faraday Research Laboratory at The Royal Institution (1998–2007). B.A. in Chemistry, St John's College, Oxford (1970, 1st Class Hons.) D.Phil. in Chemistry, Jesus College, Oxford (1974) His research focuses on the computational modeling of inorganic materials, defect physics, crystal structure prediction, nano-chemistry, and catalysis. His work integrates quantum mechanical and classical simulations to study solid-state materials and their applications. His recent publications highlight his contributions to QM/MM methods in catalysis, nanostructure modeling , defect engineering , and computational heterogeneous catalysis . These studies span materials like metal oxides, aluminosilicate clusters, and topological insulators. Key honors include: 2020 Faraday Lectureship Prize, Royal Society of Chemistry 2020 Member, German National Academy of Sciences (Leopoldina) 2004 Fellow of the Royal Society (UK)

Laura GagliardiView profile

Professor

• First principle methods with classical simulation techniques
• Catalysis and gas separation in porous materials
• Quantum chemical methods for strongly correlated systems
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Laura Gagliardi is the Richard and Kathy Leventhal Professor in the Department of Chemistry at the University of Chicago (2020-present) and Director of the Chicago Center for Theoretical Chemistry. She previously held distinguished positions at the University of Minnesota, including Distinguished McKnight University Professor (2014-2020) and Director of the Inorganometallic Catalyst Design Center EFRC (2014-present). Her research spans computational chemistry, focusing on quantum methods for energy-related materials and catalysis. PhD, Theoretical Chemistry, University of Bologna (1997) First Degree, Industrial Chemistry, University of Bologna (1992) Research Interests Her work integrates first-principle methods with classical simulations to address energy challenges , including catalysis in porous materials , photovoltaic properties of semiconductors, and actinide separation . She develops quantum chemical methods for strongly correlated systems and computational design frameworks for novel materials . Scientific Awards 2023 Pauling Medal Award 2022 Elected Member of the German National Academy of Sciences (Leopoldina) 2021 Elected Member of the National Academy of Sciences 2021 Faraday Lectureship Prize 2020 Peter Debye Award in Physical Chemistry from the American Chemical Society 2020 Elected Fellow of the American Association for the Advancement of Science 2019 Elected Member of the International Academy of Quantum Molecular Science 2018 Humboldt Foundation Research Award 2016 Bourke Award of the Royal Society of Chemistry 2016 Elected Fellow of the American Physical Society Advising and Mentoring : She has mentored 24 graduate students (9 current), 36 postdoctoral scholars (5 current), and numerous undergraduates and K-12 students. Grants and Funding : Current support includes grants from the U.S. Department of Energy (Basic Energy Sciences, National Nuclear Security Administration), National Science Foundation, U.S. Air Force Office of Scientific Research, and Xcel Energy. Labs and Teams : She directs the Chicago Center for Theoretical Chemistry and previously led the Inorganometallic Catalyst Design Center EFRC (2014-present), Chemical Theory Center (2012-2020), and Nanoporous Materials Genome Center (2012-2014) at the University of Minnesota.