Geometrical Frustration in Quantum Materials: To Order or Not To Order? One of the major focuses of solid-state chemistry is properties-structure relation. Geometrical frustration is an intriguing structural property which can lead to various quantum phenomena. On one hand, geometrical frustration suppresses long-range magnetic ordering in systems with localized magnetic moments and leads to exotic quantum states, such as quantum spin liquid. Type of Event: Materials Chemistry and Nanoscience Seminar Read more about Geometrical Frustration in Quantum Materials: To Order or Not To Order?
Chemical- and High-Pressure-Induced Band Engineering and Polymorphism in Complex Zintl Phases Structurally complex charge-balanced polar intermetallic compounds, such as Zintl pnictides (i.e., those containing Group 15 elements) and heteroanionic pnictide oxides, are promising candidates for advancing thermoelectric technology. Type of Event: Materials Chemistry and Nanoscience Seminar Read more about Chemical- and High-Pressure-Induced Band Engineering and Polymorphism in Complex Zintl Phases
Approaching the FCI Limit with Local Correlation: MP2 to CCSDTQ Local pair natural orbital coupled-cluster methods have seen much success recently, allowing for the application of “chemically accurate” approaches such as CCSD(T) to significantly larger systems. Notably, the DLPNO-CCSD(T) approach of Professor Frank Neese and coworkers has been utilized to run computations on whole proteins such as crambin (636 atoms) and insulin (789 atoms). At the CCSD(T) level of theory, local approximations have errors which are controllable to within 0.25 kcal/mol through tight parameters. Type of Event: Physical Seminar Read more about Approaching the FCI Limit with Local Correlation: MP2 to CCSDTQ
Career Opportunities in the Nuclear Security Enterprise – Savannah River Nuclear Solutions (SRNS) Please join us for a presentation from the Pit Production Laboratory at Savannah River Nuclear Solutions (SRNS), on career paths and opportunities for chemistry graduates at the Savannah River Site. Type of Event: Analytical Seminar Special Seminar Read more about Career Opportunities in the Nuclear Security Enterprise – Savannah River Nuclear Solutions (SRNS)
Steam Methane Reforming Using a Regenerable Antenna-Reactor Plasmonic Photocatalyst Methane makes up between 70 and 90% of natural gas, of which there is an excess of 7000 trillion cubic feet of reserve on earth. While it can be used to heat homes, there is a lot of interest in converting it into value-added chemicals. Steam methane reforming produces syngas, a mixture of CO and H2, which is used as feedstock in industrial processes like the Fischer-Tropsch process. Since methane is relatively chemically inert, it requires high temperature and pressure to cause a reaction. Type of Event: Physical Seminar Read more about Steam Methane Reforming Using a Regenerable Antenna-Reactor Plasmonic Photocatalyst
α-C–H Bond Dissociation Energies of Trimethylhydroxylamine: Implications for Medicinal Chemistry Type of Event: Physical Seminar Read more about α-C–H Bond Dissociation Energies of Trimethylhydroxylamine: Implications for Medicinal Chemistry
Proximity Labeling Technologies to Illuminate Glycan-Protein Interactions Type of Event: Organic Seminar Read more about Proximity Labeling Technologies to Illuminate Glycan-Protein Interactions
Ligand-Directed Approaches to Site-Selective Protein Modification Precision bioconjugation techniques are essential for constructing well-defined protein-based therapeutics such as antibody-drug conjugates (ADCs). Among native amino acids, cysteine is particularly attractive for site-selective modification due to its high nucleophilicity and low natural abundance. However, most proteins contain multiple free cysteines, making it challenging to target specific residues without affecting protein structure or function. Type of Event: Organic Seminar Read more about Ligand-Directed Approaches to Site-Selective Protein Modification
Cu-Catalyzed Difluorocarbene Insertion Towards Site-Selective Ring Expansion Type of Event: Organic Seminar Read more about Cu-Catalyzed Difluorocarbene Insertion Towards Site-Selective Ring Expansion
Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions and Resolving the Trifecta of Discrepancies Regarding the Phosphorus Suboxide P4O Type of Event: Physical Seminar Read more about Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions and Resolving the Trifecta of Discrepancies Regarding the Phosphorus Suboxide P4O
