The design of improved nanoporous materials, such as MOFs for water harvesting and carbon capture and zeolites for hydrocarbon synthesis and conversion, requires the reliable prediction of rate and equilibrium constants, i.e. free energies, for adsorption/desorption and elementary reaction steps with no other input than the atomic positions. To be relevant, predictions have to be made with an accuracy that is comparable to experiment. 

The Schnitzler research group focuses on the fate and impact of carbonaceous aerosols, nanoparticles suspended in air, generated from biomass burning and plastic pollution. These particles impact climate directly by interacting with solar and terrestrial radiation and indirectly by altering cloud formation and properties. Due to their small dimensions, these particles can stay suspended in the atmosphere for a week or two, during which time their interactions with light and water can change.

Amino acids and carbohydrates are involved in many biological process which are critical in determining their accurate characterization. These monosaccharide percussors are fundamental building blocks to their functionality such as cell-cell recognition, cellular adhesion, protein folding and solubility, metabolism, and immune/host pathogen response. All amino acids, except glycine, exist in two stereochemical forms, with the L-form being most common in nature. These precursors can have multiple structures that can make their characterization complex.

The physical properties of solids are inherently coupled to their structure and dimensionality. As such, the discovery of nascent physical phenomena and the realization of complex miniaturized devices in the solid state have incessantly relied upon the creation of stable low-dimensional crystals that approach the atomic limit.

Transdermal drug delivery offers an alternative to traditional oral and intravenous methods, addressing challenges like poor bioavailability and patient discomfort. However, this approach is limited to molecules with specific physicochemical properties (such as low molecular weight, high potency, and moderate lipophilicity) due to the skin’s stratum corneum barrier. Among various enhancement techniques, microneedle (MN) technology has emerged as a promising solution for delivering therapeutic agents of any size through the transdermal route.

With a growing population comes an increase in demand for food. However, these food sources are limited by the supply and sustainability of natural resources currently available on the planet. This study introduces edible, sustainable, environmentally friendly, and consumer appealing alternative seafood production platforms. The value of 3D scaffolding over traditional 2D cell culture is explored as well as the structural optimization and scalability of 3D scaffold cultures.

Polyhydroxyalkanoates (PHAs) have been explored for use in paperboard food and beverage packaging as an environmentally friendly replacement to petroleum-based coatings like polyethylene. Paperboard coatings are primarily extrusion coated; however, extrusion coating requires the material to be processed above its melting point. The PHB homopolymer has a polymer melting transition peak around 175° C, which also coincides with the onset of thermal degradation, making it difficult to thermally process.

Antibody-drug conjugates (ADCs) provide a powerful approach for cancer treatment. Their precise targeting and potent cell-killing effects make them a hot topic in the development of anticancer drugs. Since the US Food and Drug Administration (FDA) approved the first ADC drug Mylotarg® (gemtuzumab ozogamicin) in 2000, 14 ADCs have been approved for marketing worldwide. Currently, more than 100 ADC candidates are in clinical trials. The chemistry behind ADC design plays a crucial role in their targeting and delivery.

Lithium-ion batteries (LIBs) based on intercalation chemistry have been widely used in the past few decades. However, the overall energy density is approaching the ceiling due to the restriction of theoretical specific capacity of insertion-type oxide cathodes and graphite anodes. Lithium–sulfur (Li–S) batteries have great potential for applications in next-generation energy storage systems due to their higher theoretical capacity and energy density than LIBs. Apart from that, sulfur is earth-abundant and can be available at low prices.

Developing efficient, room-temperature gamma-ray detectors is crucial for medical imaging, homeland security, and nuclear safety applications. Halide perovskites have emerged as promising materials for radiation detection due to their high stopping power, defect tolerance, and cost-effective fabrication. However, the performance of perovskite-based detectors is often limited by the presence of various defects, which degrade charge collection efficiency and energy resolution.