Monte Carlo simulations are a broad, popular class of algorithms that solve chemical problems by changing the position of atoms in a molecule by small, random displacements over a period of time.  The kinetic Monte Carlo approach improves on its earlier counterparts by allowing all of the atoms to move dynamically and by grouping these molecular vibrations such that they are treated simultaneously until there is a change in the overall geometry of the system.  This allows for kinetic Monte Carlo simulations to last for over a second, while other

Raman Spectroscopy is a powerful technique that can probe states not visible in absorption spectroscopy. One limitation for the resolution of a stimulated Raman scattering experiment is the linewidth of the stokes pump. This proposed method uses a diamond based Fabry-Perot Cavity to generate a narrow linewidth stokes pump leading to increased resolution. Then this laser is used to perform spectroscopy in an Ion-Trap to observe sub-doppler measurements in atomic transitions.

First row transition metals are at the center of many biological catalysts due to their abundance in nature and ability to accept and donate electrons with relative ease. Determining the electronic and structural changes as a catalytic process proceeds is difficult due to challenges associated with in situ and operando studies. X-Ray spectroscopic methods are powerful tools to elucidate oxidation states, spin states, and nature of the chemical environment with element specificity.

The accurate determination of molecular vibrations and zero-point vibrational energies (ZPVEs) has been a crucial facet of quantum chemistry for decades. As system size increases, computing these molecular properties rapidly approaches computational intractability for ab initio methods such as CCSD(T).

The UGA Department of Chemistry recently hosted 150 eighth-grade students from Oglethorpe County Middle School, along with their teachers and parent chaperones, in a tour of Chemistry and Physics facilities on the UGA campus. The Department of Chemistry opened its doors in the I-STEM research facility for students to learn about the workings of several of its core facilities, including the Georgia Electron Microscopy (GEM) lab, the Nuclear Magnetic Resonance (NMR) lab, and the Proteomics and Mass Spectrometry (PAMS) lab. The visit was coordinated by Dr.

Reasoning about underlying mechanisms of observed chemical phenomena lies at the core of scientific practices.¹ To prepare for work as scientists and engineers, students should engage in scientific and engineering practices such as developing and using models to predict and explain phenomena, and constructing arguments from evidence.^1-5 One way to engage students in these practices is through three-dimensional (3D) learning; 3D assessments require students to integrate chemistry core ideas with scientific practices and crosscutting concepts

Engaging learners in science practices and sensemaking exposes learners to the uncertainty inherent in science and gives them opportunities to ‘practice’ the practices. I have accomplished this in two ways. The first way is by embedding these practices in assessments and class discourse. Class activities and assessments offer students experimental data and prompt them to generate and evaluate models, explanations, and arguments.

Dr. Echeverri-Jiménez is a candidate for the newly created tenure-track faculty position in Chemical Education as part of the President’s Interdisciplinary Faculty Hiring Initiative in Data Science and Artificial Intelligence. Dr. Echeverri-Jiménez has a Ph.D.