Chemistry Events

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4th-Year Graduate Research Seminar Series: Session 12

Session 12 abstract

Rebecca L. Combs at 9:30 a.m.
Adviser: Professor Lee Penn
Controlling Size and Aspect Ratio of MOF NU-1000 Using Solvent Identity

Nathan Love at 10 a.m.
Adviser: Professor Kenneth Leopold
A Microwave Study of a Superacid Ion Pair and Applications of an Intelligent Fitting Algorithm

Minog Kim at 10:30 a.m.
Adviser: Professor Andreas Stein
Three-Dimensionally Ordered Macroporous Mixed Metal Oxide as an Indicator for Monitoring the Stability of ZIF-8

4th-Year Graduate Research Seminar Series: Session 13

Session 13 abstract

Christian P. Hettich at 9:30 a.m. 
Adviser: Professor Jiali Gao
A Multi-state Density Functional Theory (MSDFT) Calculation on the Photodissociation of CH3

Adel Sorroush at 10 a.m. 
Advisers: Professor R. Lee Penn and Professor William Arnold
Assessing the reactivity of mineral nanoparticles to remediate groundwater under realistic chemical and flow conditions

Professor Tianquan "Tim" Lian

Professor Tianquan "Tim" Lian
Department of Chemistry
Emory University
Host: Professor James Johns

Tianquan "Tim" Lian is the William Henry Emerson Professor of Chemistry at Emory University, and co-Editor-in-Chief of Chemical Physics. He earned a bachelor's degree from Xiamen University, a master's degree in chemical physics from the Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences, and a doctorate in physics from the University of Pennsylvania. He was a post-doctoral fellow at the University of California, Berkeley. He has been a professor at Emory University since 1996.

Research interests

The long term goal of Professor Lian's research program is to contribute to the advancement of solar energy conversion science and technology through basic research. Currently, his research efforts are focused on the preparation, characterization and fundamental understanding of photovoltaic and photocatalytic nanomaterials. Of particular interest are fundamental dynamical processes in the materials and their interfaces (such as charge transfer, solvation, energy transfer and relaxation) which are not only essential to their functions, but also relevant to many other materials and applications. Researchers in Lian's lab utilize state-of-the-art laser spectroscopic and imaging techniques (femtosecond transient absorption in the visible and IR, nonlinear second harmonic and sum frequency generation, and single molecule/particle fluorescence) to investigate these processes. They aim at achieving fundamental understanding of these processes by designing experiments that can be used to test modern theory and computational modeling.

Bryce L. Crawford Memorial Lectureship

Bryce L. Crawford Jr. was a renowned Department of Chemistry professor and scientist. He died in September 2011, at the age of 96. He joined the department in 1940, and became a full professor of physical chemistry in 1946. He was chair of the department from 1955 to 1960, and was dean of the graduate school from 1960 to 1972. He retired in 1985. He loved studying molecular vibrations and force constants, and the experimental side of molecular spectroscopy and molecular structure. During World War II, Crawford worked in research on rocket propellants, making significant contributions to rocketry, and the development of solid propellants for the much larger rockets that evolved after the war. Crawford received many honors during his career, including the prestigious American Chemical Society Priestley Medal; and being named a Fellow of the Society for Applied Spectroscopy, a Guggenheim Fellow at the California Institute of Technology, and a Fulbright Fellow at Oxford University. He held the distinction of membership in three honorary science academies, and was actively involved in many professional associations.

Professor Mark Pederson

Chemical Theory Center Seminar
Via Zoom
Professor Mark Pederson
Professor and Dr. C. Sharp Cook Chair in Physics
University of Texas at El Paso
Host: Professor Ilja Siepmann


Professor Pederson's research is in chemical physics, condensed-matter physics, and computational physics. He has continuously concentrated on next-generation computing paradigms for quantum mechanics. His pioneering work demonstrated the quantitative computational prediction of quantum tunneling of magnetization (QTM) and spin-electric effects in molecular magnets. Both of these different collective phenomena arise from the spin of the electron. Quantitatively understanding conditions that allows for such coherent phenomena, is necessary from the standpoint of spin-Qubit design in quantum information science and may also unlock the mysteries of bio-navigation. He is currently attempting to link the fields of molecular magnetism and photocatalytic water splitting by demonstrating that variations in QTM, in reacting systems, can be used to spectroscopically sense conversion of water into oxygen and hydrogen without pumping energy into the system. Professor Pederson is the primary author of a computer code, the Naval Research Laboratory Molecular Orbital Library (NRLMOL), that describes how nanoscale systems interact with electromagnetic radiation. The opportunity to concentrate on developing this code over a long period has enabled these unique computational investigations and predictions.

4th-Year Graduate Research Seminar Series: Session 14

Session 14 abstract

Christopher L. Warkentin at 9:30 a.m. 
Adviser: Professor Renee R. Frontiera
Surface-Enhanced Raman Spectroscopy for Characterization of Plasmon-Mediated Reactions

Celina M. Harris at 10 a.m. 
Adviser: Professor Renee R. Frontiera
Development of Label-Free Super-Resolution Raman Microscopy for Imaging Lipid-Protein Dynamics in Model Membranes

4th-Year Graduate Research Seminar Series: Session 15

Session 15 abstract

Bach T. Nguyen at 9:30 a.m. 
Adviser: Professor Jiali Gao
In silico investigation of solution phase decarboxylation mechanism for 5-carboxyluracil

Riddhish Pandharkar at 10 a.m.
Advisers: Professor Laura Gagliardi and Professor Christopher J. Cramer
Localized active space methods for molecules with multiple correlated centers

Brianna A. Collins at 10:30 a.m. 
Adviser: Professor Jason Goodpaster
Organometallic Reactivity of Nickel Complexes Bearing PAlP Pincer-Type Ligands

4th-Year Graduate Research Seminar Series: Session 16

Session 16 abstract

Siriluk Kanchanakungwankul at 9:30 a.m.
Adviser: Professor Donald Truhlar
Reduction of Cu(II) to Cu(0) Supported on Metal-Organic Framework NU-1000

Yangzesheng Sun at 10 a.m. 
Adviser: Professor J. Ilja Siepmann
Machine Learning and Neural Networks for Modeling the Adsorption Equilibria in Nanoporous Materials

Thais Scott at 10:30 a.m.
Adviser: Professor Laura Gagliardi
State-Averaged Multi-Configuration Pair-Density Functional Theory Analytical Gradients

Professor Jessica M. Anna

Departmental Seminar
Professor Jessica M. Anna
Department of Chemistry
University of Pennsylvania
Host: Professor Aaron Massari

Professor Anna's group uses ultrafast nonlinear spectroscopy to understand photoinitiated processes and dynamics. In order to explore these processes we employ multidimensional spectroscopic methods in both the visible and infrared spectral regions. The major benefit of employing multidimensional spectroscopic techniques is that the resulting spectrum is a frequency-frequency correlation map where each excitation frequency is correlated to each detection frequency. This enables for direct information on couplings, mechanistic pathways and system-bath interactions to be obtained.

Professor Will Gutekunst

Department Seminar
Professor Will Gutekunst
Department of Chemistry & Biochemistry
Georgia Tech
Host: Professor Marc Hillmyer

The Gutekunst Lab is interested in pushing the limits of complexity in macromolecular systems using innovative concepts from synthetic organic chemistry. Specific projects in the lab explore the design of novel monomers for the construction of functional polyamides, the development of small molecule reagents for the dynamic modulation of branched polymer architectures, and the investigation of new concepts for creating covalent bonds in challenging contexts. Each project enables the generation of new functional materials with structures or assemblies that were previously inaccessible for study. 

Professor Theodore Goodson III

Professor Theodore Goodson III
Department of Chemistry
College of Literature, Science, and the Arts
University of Michigan
Host: Professor Aaron Massari

Professor Goodson's research group utilizes a number of spectroscopic techniques towards investigating the optical properties and applications of novel organic macromolecular materials. A major emphasis is placed on the new properties observed in organic macromolecules with branching repeat structures as well as organic macromolecules encapsulated with small metal particles. These materials have been suggested to be candidates for variety of applications involving light emitting devices, artificial light harvesting, strong optical limiters, enhanced nonlinear optical effects, quantum optical effects and as sensors in certain organic and biological devices.