Newark, DE, United States
Newark, DE, United States

The University of Delaware is the largest university in Delaware. The main campus is in Newark, with satellite campuses in Dover, Wilmington, Lewes, and Georgetown. It is medium-sized – approximately 16,000 undergraduate and 3,500 graduate students. UD is a private university and receives public funding for being a land-grant, sea-grant, space-grant and urban-grant state-supported research institution. As of 2013, the school's endowment is valued at about US$1.171 billion. Delaware has been labeled one of the "Public Ivies," a publicly funded university considered as providing a quality of education comparable to those of the Ivy League.UD is classified as a research university with very high research activity by the Carnegie Classification of Institutions of Higher Education. The university's programs in engineering, science, business, hospitality management, education, urban affairs and public policy, public administration, agriculture, history, chemical and biomolecular engineering, chemistry and biochemistry have been highly ranked with some drawing from the historically strong presence of the nation's chemical and pharmaceutical industries in the state of Delaware, such as DuPont and W. L. Gore and Associates. It is one of only four schools in North America with a major in art conservation. UD was the first American university to begin a study abroad program.The school from which the university grew was founded in 1743, making it one of the oldest in the nation. However, UD was not chartered as an institution of higher learning until 1833. Its original class of ten students included George Read, Thomas McKean, and James Smith, all three of whom would go on to sign the Declaration of Independence. Wikipedia.

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Malware detection methods systems, and apparatus are described. Malware may be detected by obtaining a plurality of malware binary executables and a plurality of goodware binary executables, decompiling the plurality of malware binary executables and the plurality of goodware binary executable to extract corresponding assembly code for each of the plurality of malware binary executables and the plurality of goodware binary executable, constructing call graphs for each of the plurality of malware binary executables and the plurality of goodware binary executables from the corresponding assembly code, determining similarities between the call graphs using graph kernels applied to the call graphs for each of the plurality of malware binary executables and the plurality of goodware binary executables, building a malware detection model from the determined similarities between call graphs by applying a machine learning algorithm such as a deep neural network (DNN) algorithm to the determined similarities, and identifying whether a subject executable is malware by applying the built malware detection model to the subject executable.

Agency: Cordis | Branch: H2020 | Program: RIA | Phase: NMP-23-2015 | Award Amount: 7.15M | Year: 2016

The demand for lower dependency on critical raw materials (CRM) such as rare earths (RE) is not only a European but a global problem that demands immediate action. The purpose of this project is to exploit advanced theoretical and computation methods together with state-of-the-art materials preparation and characterization techniques, to develop the next generation RE-free/lean permanent magnets (PM). The material design will be driven by automated large computational screening of new and novel intermetallic compounds with uniaxial structure in order to achieve high saturation magnetisation, magnetocrystalline anisotropy and Curie temperature. The simulations will be based on a primary screening detecting the mechanisms that give rise to distorted phases and stabilize them, by adding doping atoms as stabilizers. In a further computation on successfully synthetized compounds, micromagnetic calculations will be used in order to design the optimal microstructure for the given phases that will maximise the coercivity needed for a PM. Extensive experimental processing and characterisation of the selected phases will result in a first proof of principle of the feasibility of NOVAMAG PMs. A multidisciplinary team of magnet experts consisting of chemists, material scientists, physicists and engineers from academia, national labs and industry is assembled to undertake a concerted, systematic and innovative study to overcome the problems involved and develop the next generation RE-free/lean PMs. Currently the demand for these PM s is even higher with the emerging markets of hybrid/electric vehicles and wind mill power systems. The proposed project will provide the fundamental innovations and breakthroughs which will have a major impact in re-establishing the Europe as a leader in the science, technology and commercialization of this very important class of materials and help decrease our dependence on China, which will in turn improve the competitiveness of EU manufacturers.

To date, three way catalytic converters (TWCs) have been established as the most effective engine exhaust after-treatment system. However, TWCs not only fail to address the issue of particulate matter (PM) emissions but are also the main industrial consumer of Critical Raw Materials (CRMs) mainly Platinum Group Metals (PGMs) and Rare Earth elements (REEs), with the automotive industry accounting for 65%-80% of total EU PGMs demand. The enforcement of new limits on PM emissions (EURO 6c/7) will require higher TWC performance, hence leading to further increase the CRMs content in autocatalysts. Addressing the necessity of CRMs reduction in catalysis, PARTIAL-PGMs proposes an integrated approach for the rational design of innovative nanostructured materials of low/zero PGMs/REEs content for a hybrid TWC/Gasoline Particulate Filter (GPF) for automotive emissions after-treatment with continuous particulates combustion also focusing on identifying and fine-tuning the parameters involved in their preparation, characterization and performance evaluation under realistic conditions. PARTIAL-PGMs approach is broad, covering multiscale modeling, synthesis and nanomaterials characterization, performance evaluation under realistic conditions as well as recyclability, health impact analysis and Life Cycle Assessment. The rational synthesis of nanomaterials to be used in these hybrid systems will allow for a reduction of more than 35% in PGMs and 20% in REEs content, either by increasing performance or by their replacement with transition metals. The compact nature of the new hybrid system not only will allow its accommodation in smaller cars but will also reduce cold start emissions and light-off times with performance aiming to anticipate both future emission control regulations and new advances in engines technology. Such R&D progress in autocatalysts is expected to pave the way to the widespread use of such low CRMs content materials in other catalytic applications.

Letessier-Selvon A.,University Pierre and Marie Curie | Stanev T.,University of Delaware
Reviews of Modern Physics | Year: 2011

This is a review of the most resent results from the investigation of the ultrahigh energy cosmic rays, particles of energy exceeding 1018eV. After a general introduction to the topic and a brief review of the lower energy cosmic rays and the detection methods, the two most recent experiments, the High Resolution Fly's Eye and the Southern Auger Observatory, are described. Results from these two experiments on the cosmic ray energy spectrum, the chemical composition of these cosmic rays, and searches for their sources are presented. An analysis of the controversies in these results and the projects in development and construction that can help solve the remaining problems with these particles is also presented. © 2011 American Physical Society.

Gaisser T.K.,University of Delaware
Astroparticle Physics | Year: 2012

Interpretation of measurements of the muon charge ratio in the TeV range depends on the spectra of protons and neutrons in the primary cosmic radiation and on the inclusive cross sections for production of π ± and K ± in the atmosphere. Recent measurements of the spectra of cosmic-ray nuclei are used here to estimate separately the energy spectra of protons and neutrons and hence to calculate the charge separated hadronic cascade in the atmosphere. From the corresponding production spectra of μ + and μ - the μ +/μ - ratio is calculated and compared to recent measurements. The comparison leads to a determination of the relative contribution of kaons and pions. Implications for the spectra of ν μ and ν̄ μ are discussed. © 2012 Elsevier B.V. All rights reserved.

Szalewicz K.,University of Delaware
Wiley Interdisciplinary Reviews: Computational Molecular Science | Year: 2012

Basic concepts and most recent developments of symmetry-adapted perturbation theory (SAPT) are described. In particular, the methods that combine SAPT with density-functional theory are discussed. It is explained how SAPT allows one to predict and understand the structure and properties of clusters and condensed phase. The broadest range of such predictions can be achieved by constructing potential energy surfaces from a set of SAPT interaction energies and using these surfaces in nuclear dynamics calculations. © 2011 John Wiley & Sons, Ltd.

Zondlo N.J.,University of Delaware
Accounts of Chemical Research | Year: 2013

Proline residues have unique roles in protein folding, structure, and function. Proline and the aromatic amino acids comprise the encoded cyclic protein residues. Aromatic protein side chains are defined by their negatively charged π faces, while the faces of the proline ring are partially positively charged. This polarity results from their two-point connection of the side chain to the electron-withdrawing protein backbone, and the lower electronegativity of hydrogen compared to carbon, nitrogen, and oxygen. The hydrogens adjacent to the carbonyl and amide nitrogen, Hα and Hδ, respectively, are the most partially positive. Proline's side chain is also conformationally restricted, allowing for interaction with aromatic residues with minimal entropic or steric penalty. Proline and aromatic residues can interact favorably with each other, due to both the hydrophobic effect and the interaction between the π aromatic face and the polarized C-H bonds, called a CH/π interaction. Aromatic-proline interactions can occur locally, for example, to stabilize cis-amide bonds, and over larger distances, in the tertiary structures of proteins, and intermolecularly in protein-protein interactions. In peptides and proteins, aromatic-proline sequences more readily adopt cis-prolyl amide bonds, where the aromatic ring interacts with the proline ring in the cis conformation. In aromatic-proline sequences, Trp and Tyr are more likely to induce cis-amide bonds than Phe, suggesting an aromatic electronic effect. This result would be expected for a CH/π interaction, in which a more electron-rich aromatic would have a stronger (more cis-stabilizing) interaction with partial positive charges on prolyl hydrogens.In this Account, we describe our investigations into the nature of local aromatic-proline interactions, using peptide models. We synthesized a series of 26 peptides, TXPN, varying X from electron-rich to electron poor aromatic amino acids, and found that the population of cis-amide bond (Ktrans/cis) is tunable by aromatic electronics. With 4-substituted phenylalanines, we observed a Hammett correlation between aromatic electronics and Ktrans/cis, with cis-trans isomerism electronically controllable by 1.0 kcal/mol. All aromatic residues exhibit a higher cis population than Ala or cyclohexylalanine, with Trp showing the strongest aromatic-proline interaction. In addition, proline stereoelectronic effects can modulate cis-trans isomerism by an additional 1.0 kcal/mol. The aromatic-proline interaction is enthalpic, consistent with its description as a CH/π interaction. Proline-aromatic sequences can also promote cis-prolyl bonds, either through interactions of the aromatic ring with the preceding cis-proline or with the Hα prior to cis-proline. Within proline-rich peptides, sequences commonly found in natively disordered proteins, aromatic residues promote multiple cis-amide bonds due to multiple favorable aromatic-proline interactions. Collectively, we found aromatic-proline interactions to be significantly CH/π in nature, tunable by aromatic electronics. We discuss these data in the context of aromatic-proline and aromatic-glycine interactions in local structure, in tertiary structure, in protein-protein interactions, and in protein assemblies. © 2012 American Chemical Society.

Braun R.J.,University of Delaware
Annual Review of Fluid Mechanics | Year: 2011

This review discusses the current understanding of tear-film physiology and mathematical models for some of its dynamics. First, a brief introduction to the tear film and the ocular surface is given. Next, mathematical models for the tear film are discussed, with an emphasis on models that describe the formation and relaxation of the tear film from blinking. Finally, future issues in tear film modeling are presented.

Agency: NSF | Branch: Continuing grant | Program: | Phase: CONDENSED MATTER & MAT THEORY | Award Amount: 188.27K | Year: 2017


This CAREER award supports research and education on the computational modelling of defects in complex materials that are used for energy, electronics, and optoelectronics applications.

Defects play a crucial role in altering the properties of many materials, some of which are of high technological relevance and central to our daily life. For example, the electrical conductivity of semiconductors such as silicon and gallium arsenide can be drastically modified by adding minute concentrations of impurities, enabling a variety of microelectronic devices (such as the ubiquitous transistor) that are present in the microchips inside our current computers, smart phones, and tablets. On the other hand, defects can be detrimental to device performance, as is the case for defects that limit the efficiency of solar cells. Our ability to control the type and amount of defects present determines if a given material will be suitable for device applications. Understanding and controlling defects is therefore crucial to the development of novel materials for electronics and optoelectronics. Using advanced methods of electronic structure theory and supercomputers, the PI will investigate the role of defects in a series of complex materials that exhibit an array of exciting physical properties. The research may enhance the existing properties, and could lead to the discovery of new ones that can be used in novel device designs.

In addition, this project will have significant educational value, incorporating training of graduate and K-12 high-school students. The graduate students will learn cutting-edge computational methods and advanced concepts in materials theory; they will also participate in an outreach program that involves teaching scientific programing to high-school students, enticing them to a career in science and technology. Through summer internships, high-school students will work on developing data-manipulation tools that will help the graduate students with complex data visualization. The tools will be freely available through the PIs research website.


This CAREER award supports research and education on the computational modelling of defects and charge localization in complex materials that are used for energy, electronics, and optoelectronics applications.

The properties of most materials are strongly affected by the presence of defects. For example, adding minute concentrations of impurities to a semiconductor can drastically change its electrical conductivity by several orders of magnitude, transforming a good insulator into an excellent conductor. Defects can also be detrimental to device performance, as in the case of solar cells, where defects cause unwanted nonradiative carrier recombination, and strongly impact efficiency. Computer modelling based on density functional theory has turned into a powerful tool in the study of defects in various types of materials, providing information on concentrations, and on electrical and optical activities. These calculations often complement experiments by giving access to important properties and phenomena that are difficult to probe at the atomic scale.

In this project the PI will use state-of-the-art computational methods to investigate the role of defects in oxides made of elements with partially filled d or f shells. The materials of interest include perovskites, layered perovskites, and pyrochlores. These materials have potential to enable novel devices and functionalities, as their most interesting properties are strongly influenced by the presence of impurities and defects. This project will advance fundamental understanding of the impact of defects and impurities on the electronic and optical properties of these complex materials. In a crucial step towards enabling device applications, the project will provide information on equilibrium defect concentrations, electrical and optical activities, and the relation between defects and charge carriers and migration. Ultimately, it will serve to identify defects that are detrimental to materials performance in devices, and will provide a basis to engineer defects, through doping or alloying, to enhance or broaden materials functionality.

In addition, this project will have significant educational value, incorporating training of graduate and K-12 high-school students. The graduate students will learn cutting-edge computational methods and advanced concepts in materials theory; they will also participate in an outreach program that involves teaching scientific programing to high-school students, enticing them to a career in science and technology. Through summer internships, high-school students will work on developing data-manipulation tools that will help the graduate students with complex data visualization. The tools will be freely available through the PIs research website.

Agency: NSF | Branch: Cooperative Agreement | Program: | Phase: RESEARCH INFRASTRUCTURE IMPROV | Award Amount: 6.00M | Year: 2016

Non-Technical Description
This Research Infrastructure Improvement Track-2 Focused EPSCoR Collaboration (RII Track-2 FEC) proposal is a collaboration between three institutions in Delaware, Nevada, and Nebraska, namely the University of Delaware, the University of Nevada, Reno, and the University of Nebraska, Lincoln. The project will focus on better understanding the complex relationship between existing knowledge and information obtained through sensory perception, a central question in cognitive neuroscience. To help coordinate the research and provide training for participants, the project will set up three distributed ?methods cores?. Members of each methods core will be available for day-to-day consultations on their respective methodologies, and also conduct training workshops to achieve transfer of expertise across institutions and thus develop human infrastructure in each jurisdiction. These cores will provide support and establish standards in the implementation, analysis, and interpretation of all experiments. Another goal of the project is to promote the entry of undergraduates into graduate programs in neuroscience. To this end, the project will host summer ?brain camps? in cognitive neuroscience. Special efforts will be made to attract undergraduate and graduate students from groups traditionally under-represented in neuroscience by providing full financial support to such students and recruiting at a variety of appropriate venues.

Technical Description
The research efforts will address the interplay between knowledge and perception in a complementary manner. The first research module will investigate the formation of new knowledge via Statistical Learning, the learning of associations among sensory stimuli that tend to co-occur in temporal or spatial patterns. The second module will investigate the interactions between spatial representations of perceived objects, prior knowledge of object use, and body position, as well as the effects of these inputs into perception. The third module will examine the impact of knowledge on attention and working memory. Orthogonal to the organization of the research modules, the project will set up three ?methods cores?, focused on Neuroimaging, Neuropsychology, and Neurostimulation, that will provide support, training, and advice to members of all research modules:. The cores will host three week-long, intensive summer workshops, open to faculty and trainees from all three sites. The resources of the methods cores will also be available to new faculty at each institution, as part of planned recruitment of neuroscience faculty.

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