Lectures and Events - Faculty of Chemistry

Polymorphous networks of intrinsic local motifs in crystals

Prof. Alex Zunger

Predicting properties of crystals and molecules via quantum theory of matter generally requires knowing (A) the nature...

Predicting properties of crystals and molecules via quantum theory of matter generally requires knowing (A) the nature of electronic interactions in the system, and (B) where atoms and various moments are (“structure”). Some of the historical failures to predict basic effects in ‘Quantum Materials’ were often tracked back to the need to improve our understanding of (A), such as accounting for ‘strong electron correlation’. Examples include Mott insulators; mass enhancement in superconductors; metal-insulator transitions in oxides, or even the quantitative underestimation of predicted band gaps of cubic Halide Perovskites. This talk explores a different resolution of the aforementioned conflicts with experiment in terms of hidden structure (B) above. This include configurations of magnetic moments or electric dipole moments, not only in the ordered ground states, but also in paramagnetic and paraelectric phases, and in nonmagnetic cubic phases of halide perovskites, all considered previously to be ‘featureless phases. Importantly, such ‘Quantum Texture’ can be predicted theoretically by minimization of the constrained internal energy, even before temperature sets in. It thus represents intrinsic tendencies to lower energy by breaking symmetry. Using such polymorphous networks in band theory explains Mott physics without correlation as well as Halide Perovskites before dynamics. This highlights the importance of experimental observation of distributions of local symmetries, distinct from the global average crystallographic symmetries.

Artificial Metalloenzymes for in vivo Catalysis: Challenges and Opportunities

Prof. Thomas R. Ward

Artificial metalloenzymes (ArMs) have attracted increasing attention in the past two decades as attractive...

Artificial metalloenzymes (ArMs) have attracted increasing attention in the past two decades as attractive alternatives to either homogeneous catalysts or enzymes. Artificial metalloenzymes result from anchoring a catalytically competent abiotic metal cofactor within a host protein, Figure. The resulting ArMs combine attractive features of both homogeneous- and bio-catalysts. Importantly, they enable access to new-tonature reactions in a cellular environment. Relying on a supramolecular anchoring of an organometallic cofactor in various protein scaffolds, we have optimized the performance of ArMs for sixteen different reactions, Figure. Following a general introduction to the underlying principles of ArMs, this talk will highlight our recent progress in engineering and evolving such hybrid catalysts for olefin metathesis, C–H activation, hydroamination, and allylic substitution. A particular emphasis will be set on performing catalysis in a cellular environment.

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Prof. Hideki Kandori

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Prof. Eberhard K. U. Gross

2023 G.M.J. SCHMIDT MEMORIAL LECTURE

Prof. Erwin Reisner

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Prof. Robin Grimes

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Prof. Jeffrey D. Rimer

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Prof. Danna Friedman

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Prof. Omar M. Yaghi

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Prof. Raffi Budakian

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Prof. Colin P. Nuckolls

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Dr. Oliver Groening

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Prof. Jeremie Palacci

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Prof. James J. De Yoreo

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Prof. Brent Fultz

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Prof. Jan van Esch

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Prof. Dipankar Das (D.D.) Sarma

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Prof. Petr Cigler

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Prof. Lewis E. Kay