Department of Chemistry

Research Disciplines

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Astrochemistry

Astrochemistry at UVa covers a variety of research topics involving the chemistry that occurs in interstellar clouds of gas and dust

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Astrochemistry

The field of astrochemistry is concerned with the study of chemical processes that occur in extraterrestrial environments. One example of this research area is the study of the formation of chemical compounds from ‘star stuff’, the basic building blocks that fill the interstellar void and which go on to form planetary bodies and stars. Modelling this chemistry can shed light on the way molecules are produced and distributed in interstellar space, and how they may be ultimately incorporated into planets and other bodies. Improving our understanding of these processes throughout the universe expands our fundamental knowledge and gives us insight into the development of our own corner of space.

Astrochemistry at UVa covers a variety of research topics, such as: chemistry in interstellar clouds of gas and dust throughout our galaxy and others; complex organic chemistry during the collapse of portions of these clouds to produce new stars; coupled chemical and physical models of star and planet formation, including protoplanetary disks; and the chemical evolution of comets.

This research uses large kinetic simulations to model the concentrations of molecules, many of which are unusual by terrestrial standards given the extreme differences in temperatures and pressures from laboratory conditions. The results of these simulations can be validated and improved through comparison to spectroscopic observations of these molecules using radiotelescopes. Such comparisons yield a better understanding of the physical conditions in interstellar clouds, especially the regions that are collapsing to form stars. Related chemical reactions thought to occur in the interstellar medium are studied by theoretical and experimental methods; these reactions occur both in the gas phase and on surfaces of tiny dust particles known as interstellar grains. By simulating the chemistry on an astronomical timescale (millions of years), we can trace the progression of molecular complexity in the galaxy and understand the chemical enrichment of the material that will ultimately form stars and planets. For more information on current research projects in this area, visit the faculty websites below.
Bioanalytical

Bioanalytical

With roots in analytical chemistry, the bioanalytical field aims to quantify and detect varying small and macromolecules.

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Bioanalytical

Bioanalytical

With roots in analytical chemistry, the bioanalytical field aims to quantify and detect varying small and macromolecules. Quantification and detection are crucial for researchers to identify and better understand molecules present in their sample of interest. Researchers utilize bioanalysis for a variety of different applications in fields such as forensic analysis, pharmacology, immunology, among others. 

While this field is far-reaching, bioanalytical groups at the University of Virginia have a particular emphasis on designing and using new instrumentation: from electrochemistry to microfluidic devices, separation techniques, mass spectrometry, and high-resolution microscopy. These new technologies facilitate better chemical measurements in proteomics, forensics, clinical analysis and diagnostics, and live cell and tissue measurements, including microbial communities, the immune system, and the brain. We combine our chemistry expertise with researchers in the schools of engineering and medicine in order to maximize the societal impact of our research.  For more information on current research that is underway in the various labs visit their faculty websites below.

 

 

 

 
Biophysical Chemistry

Biophysical Chemistry

Biophysical Chemistry seeks to explain biological mechanisms using a combination of chemical and physical concepts and techniques.

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Biophysical Chemistry

Biophysical Chemistry

Biophysical Chemistry seeks to explain biological mechanisms using a combination of chemical and physical concepts and techniques. Cells have a highly dynamic and complex environment composed of varying biomolecules with specific functions that we seek to understand. At UVA, we develop and apply:
(i) new measurement technologies,
(ii) various formalisms from the physical sciences, as well as
(iii) data analytics and computational modeling tools.

These various approaches enable one to develop an integrated understanding of the structural properties, dynamics, and functions of biological molecules through techniques like super-resolution imaging, statistical mechanics, and molecular simulations. Biophysical Chemistry necessitates collaboration and enables students to develop expertise in a breadth of techniques and fields. 

More specifically, Biophysical Chemistry is a highly interdisciplinary branch of science that seeks to elucidate biomolecular mechanisms in terms of the underlying physicochemical driving forces. This field sits at the junction of many other areas—including structural and computational biology, molecular biophysics, imaging and microscopy methods, and biomolecular spectroscopy. Biophysical chemists develop and apply (i) new measurement technologies (such as super-resolution imaging in live cells), (ii) various formalisms from the physical sciences (such as statistical mechanics), as well as (iii) data analytics and computational modeling tools (such as molecular simulations). Together, these various approaches enable one to develop an integrated understanding of the structural properties, dynamics, and functions of biological molecules in the contexts of their native environments (living cells, tissues, etc.). By its very nature, research in biophysical chemistry is often highly collaborative; this, in turn, enables students to develop expertise in working across boundaries that span conventional disciplines.  For more information on current research that is underway in the various labs visit their faculty websites below.

 

 

 

 
UVA Chemistry People Catalysis and Energysis and Energy

Catalysis and Energy

The study of catalysis is concerned with developing and understanding chemical processes that use a catalyst, a molecule that makes a desi

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UVA Chemistry People Catalysis and Energysis and Energy

Catalysis and Energy

The study of catalysis is concerned with developing and understanding chemical processes that use a catalyst, a molecule that makes a desirable chemical reaction occur more rapidly without being consumed. A relatively small amount of a catalyst can facilitate many hundreds of thousands of reactions before degrading, enabling energy and resource efficiency, often at large scales. Catalytic processes are used in approximately 90% of all industrial chemical processes, and catalytic reactions are central to the pharmaceutical, chemical, and energy sectors. Thus, innovations in catalysis are critical to the preparation of new medicines, conversion of solar energy to chemical fuels, and the development of more environmentally benign methods to produce materials used by modern society. 

Faculty in the Department of Chemistry are pursuing a broad array of fundamental advancements in the field of catalysis. Research efforts span homogeneous and heterogeneous catalysis, metal (transition and main group) and organo-catalysis, as well as thermal, photo- and electrocatalysis. A primary focus is on the development of new catalytic materials/processes and understanding the mechanisms of those catalysts. For more information on current research that is underway in the various labs, visit the faculty websites below.

 

 

 
UVA Chemistry Lab

Chemical Biology

The field of chemical biology focuses on the use of chemical approaches, particularly synthetic chemistry, to answer biological questions as well a

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UVA Chemistry Lab

Chemical Biology

The field of chemical biology focuses on the use of chemical approaches, particularly synthetic chemistry, to answer biological questions as well as to develop modulators of protein function. Chemical biology has roots in both chemistry and biochemistry, fostering scientific creativity from the interdisciplinary nature of chemical biology research. Research in this area includes the development of novel approaches to using small molecules to modulate the activity of proteins as well as the development of new methods to measure specific biological activities, particularly in cells. These efforts can lead to the development of new treatments for diseases as well as biomarkers for the detection and/or monitoring of disease. 

The complexity of biology demands quantitative and molecular solutions that can only be answered by tools and methodologies derived from chemistry, including chemical proteomics, spectroscopy, single-molecule measurements, and design of molecules and proteins to modulate or probe cellular systems. Faculty at UVA conducting research in chemical biology provide a foundational training environment to encourage students to develop their own ideas and make exciting new discoveries. For more information on current research underway in the various labs visit their faculty websites below.

 

 

Chemical Education Research

Chemical education researchers at UVa focus on transforming STEM instruction at the undergraduate level by studying faculty and teaching assistants.

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Chemical Education Research

Chemical Education Researchers work towards enhancing STEM instruction at the undergraduate level – with a specific emphasis on the field of chemistry – by studying the teaching practices of faculty and student teaching assistants. Researchers at UVA explore instructors’ cognition, instructional practices, and contextual factors that influence their teaching by using a combination of quantitative and qualitative methods such as interviews and observations. A better understanding of the factors which affect instruction and learning enables the development of improved instructional methods and benefits student outcomes in classroom settings. For more information on current research underway in the various labs visit their faculty websites below.
Spectroscopy

Imaging and Sensing

Molecular detection and quantification are integral to an improved understanding of biological and physiological processes.

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Spectroscopy

Imaging and Sensing

Molecular detection and quantification are integral to an improved understanding of biological and physiological processes. Research in the areas of Imaging and Sensing is concerned with developing methods and instrumentation to detect and probe specific reactions or molecules in chemically dense environments. Researchers at UVA couple an understanding of efficient and selective chemical and biological reactions with sensitive analytical techniques and manufacturing processes to realize fundamental advancements in our ability to detect and quantify molecules and processes of interest. 

Specific approaches include the development of small-molecule probes, responsive dyes, molecular sensors, biomaterials, nanoparticles, and nanotube electrodes which are sensitive to detection methods based on luminescence, magnetism, electrochemistry, microscopy, and mass spectrometry. There is a complementary interest in integrating these methods with advanced microfabrication, bioengineering, and microfluidics techniques to minimize the invasiveness of imaging and sensing, decrease required sample sizes, and accurately characterize interrelated chemical pathways. Overall, the development of new sensing and imaging technologies is enabling important advancements in biology, medicine, forensics, environmental science, and other fields. For more information on current research underway in the various labs, please visit their faculty websites below.

 
UVA Chemistry Lab

Inorganic and Organometallic Chemistry

The field of Inorganic Chemistry broadly focuses on the study of inorganic compounds, which are generally defined as compounds that are primarily m

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UVA Chemistry Lab

Inorganic and Organometallic Chemistry

The field of Inorganic Chemistry broadly focuses on the study of inorganic compounds, which are generally defined as compounds that are primarily made up of non-carbon elements. In the subfield of organometallic chemistry, chemists study compounds in which there is at least one organic group (i.e., carbon-containing) bonded to a metallic element. This field involves fundamental aspects of both the organic and inorganic chemistry fields. Due to the large number of compounds that fall into the category of inorganic chemistry, chemists in this field address a wide variety of chemical problems. 

Researchers at UVA Chemistry apply these concepts to multiple areas, including small molecule sensing, (electro)catalytic production of commodity chemicals and precursors, nanomaterials development, renewable energy conversion, small-molecule activation and the study of photochemical processes. Using a variety of synthetic, spectroscopic, and computational methods, fundamental and applied questions relevant to inorganic, organometallic, coordination, main group, rare earth, bioinorganic, supramolecular, and materials chemistry are being explored. For more information on current research underway in the various labs, visit the faculty websites below.

 

 
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Nanosciences and Materials

The fields of Nanoscience and Materials Chemistry are rapidly expanding and multidisciplinary areas of research with diverse applications in biomed

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Nanosciences and Materials

The fields of Nanoscience and Materials Chemistry are rapidly expanding and multidisciplinary areas of research with diverse applications in biomedicine, energy conversion and storage, optics, electronics and magnetism, among others. Nanoscience is largely focused on the chemistry of structures, materials, or groups of atoms or molecules on the scale of nanometers (10-9 m or one-billionth of a meter). The chemistry that happens at this scale is often completely different than that which occurs at either smaller (single atoms or molecules) or larger (visible to the human eye) length scales and allows us to solve chemical problems and develop materials with radically new and different properties.

UVA Faculty interested in Nanosciences and Materials focus on developing innovative synthetic methods, advanced characterization strategies, multi-scale simulations and new device fabrications, to increase our understanding of structure-property relationships, uncover emergent phenomena and accelerate the transition from lab bench to the consumer. Designing, discovering and synthesizing novel structures through atomic, molecular and nanoscale control is critical to manipulating and improving the chemical and physical properties of materials. For more information on current research underway in the various labs visit their faculty websites below.

 

 
UVA Chemistry Lab

Organic Chemistry and Synthesis

The study of organic chemistry focuses on creating chemical compounds that impact our lives as pharmaceuticals, agricultural products, materials, a

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UVA Chemistry Lab

Organic Chemistry and Synthesis

The study of organic chemistry focuses on creating chemical compounds that impact our lives as pharmaceuticals, agricultural products, materials, and polymers, using carbon as the central element. Fundamentally, research in this area develops efficient ways to create structurally diverse and valuable chemical compounds from cheap and abundant precursors. Despite extensive and ongoing research in this area, there are still limitations in terms of cost and practicality associated with the production of many important organic compounds and materials. The study of Organic Chemistry can enable a greater understanding of the structure, properties, and function of carbon-containing compounds toward the goal of designing next-generation solutions to societal challenges and increasing our knowledge about the chemistry of life.

Faculty at UVA pursue these goals in an interdisciplinary way, combining concepts from catalysis, drug discovery, materials chemistry, organometallic chemistry, and chemical biology to develop fundamentally new bond-forming processes and methodologies. Using reaction development, structural optimization, biocompatibility strategies, and labeling techniques, researchers are discovering efficient chemical transformations, therapeutic treatments, benign soft materials, and biological signaling pathways. For more information on current research underway in the various labs visit their faculty websites below.

 
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Surface Chemistry and Spectroscopy

Surface Chemistry focuses on understanding chemical reactions on a molecular level at the interface of two phases of matter, e.g.

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Surface Chemistry and Spectroscopy

Surface Chemistry focuses on understanding chemical reactions on a molecular level at the interface of two phases of matter, e.g. gas molecules reacting with a solid metallic surface. Spectroscopic analysis is an integral part of this research, enabling researchers to monitor the distributions, concentrations and dynamics of reactants, intermediates, and products in these chemical reactions. Researchers at UVA apply these principles to a wide a range of areas, from the development of new laser and microwave methods for gas phase molecular spectroscopy, to the application of NMR and ESR spectroscopies to membrane-bound protein characterization in liquids, and the application of solid surface spectroscopies (XPS, AES, TDS, RAIRS, STS, etc.) to understand material behavior and reactivity.

This research is integral to the development of many modern technologies including fuels, semiconductors, nanoscale particles, biomedical devices, and immunological therapies. For more information on current research underway in the various labs, visit the faculty websites below.

 
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Theory and Computation

Theoretical and computational work at UVa makes use of advanced analytical and numerical tools to investigate phenomena of interest in fields ranging from biology to materials science to astrochemistry. 

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Theory and Computation

The field of theory and computation allows researchers to model and simulate phenomena that are otherwise difficult to study with existing techniques. These models and simulations are rooted in mathematics and computer science and allow researchers to gather large amounts of data through the use and development of algorithms. While these algorithms are written in a variety of different computer languages, each is aimed at answering a specific research question of interest. 

Theoretical and computational work at UVA makes use of advanced analytical and numerical tools to investigate phenomena of interest in fields ranging from biology to materials science to astrochemistry. The DuBay Group studies self-organization of nanomaterials in complex environments using numerical approaches including atomistic molecular dynamics simulations and coarse-grained modeling. The Egorov Group investigates the behaviors of supercritical fluids using classical statistical mechanics, while also working to apply quantum and semi-classical approaches to investigate chemical systems in which many-body effects play an important role. The Garrod Group studies the formation of simple and complex organic molecules on the surface of and within astrophysical dust grains and ices. A novel Kinetic Monte Carlo approach is used to simulate surface chemistry taking place on dust grains over interstellar timescales. The Herbst Group is interested in the chemical processes by which molecules in interstellar clouds grow. Numerical approaches are used to simulate these chemical processes in order to predict the actual concentrations of such molecules. Finally, theoretical and computational tools are playing an increasingly significant role in the investigations of many experimental groups in the department, both through collaborations with resident theorists and through group-specific projects that include a significant computational component. For more information on current research underway in the various labs visit the faculty profiles or websites below.