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The Chemical Theory, Models and Computational Methods program supports the discovery and development of theoretical and computational methods or models to address a range of chemical challenges, with emphasis on emerging areas of chemical research.  Proposals that focus on established theoretical or computational approaches should involve innovative additions or modifications that substantially broaden their applicability.  Areas of interest include, but are not limited to, electronic structure, quantum reaction dynamics, statistical mechanics, molecular dynamics, and simulation and modeling techniques for molecular systems and systems in condensed phases.  Areas of application span the full range of chemical systems from small molecules to mesoscopic aggregates, including single molecules, biological systems and materials in condensed phases.   Despite the diverse application areas, the goal of the program is to support the development of new theoretical and computational methodologies that have the potential of being broadly applicable to a range of challenging chemical problems. We are particularly interested in fundamental areas of chemical research that are difficult or impossible to address using current synthetic, experimental, and/or computational methodologies.  We encourage the integration of innovative software development with methodological and algorithmic development, especially computational approaches that allow efficient utilization of the high end computers of the future.

The Macromolecular, Supramolecular and Nanochemistry (MSN) Program focuses on basic research that addresses fundamental questions regarding the chemistry of macromolecular, supramolecular and nanoscopic species and other organized structures and that advances chemistry knowledge in these areas.  Research of interest to this program will explore novel chemistry concepts in the following topics: (1) The development of novel synthetic approaches to clusters, nanoparticles, polymers, and supramolecular architectures; innovative surface functionalization methodologies; surface monolayer chemistry; and template-directed synthesis.  (2) The study of molecular-scale interactions that give rise to macromolecular, supramolecular or nanoparticulate self-assembly into discrete structures; and the study of chemical forces and dynamics that are responsible for spatial organization in discrete organic, inorganic, or hybrid systems (excluding extended solids).  (3) Investigations that utilize advanced experimental or computational methods to understand or to predict the chemical structure, unique chemical and physicochemical properties, and chemical reactivities that result from the organized or nanoscopic structures.  Research in which theory advances experiment and experiment advances theory synergistically is of special interest.

The Macromolecular, Supramolecular and Nanochemistry (MSN) Program focuses on basic research that addresses fundamental questions regarding the chemistry of macromolecular, supramolecular and nanoscopic species and other organized structures and that advances chemistry knowledge in these areas.  Research of interest to this program will explore novel chemistry concepts in the following topics: (1) The development of novel synthetic approaches to clusters, nanoparticles, polymers, and supramolecular architectures; innovative surface functionalization methodologies; surface monolayer chemistry; and template-directed synthesis.  (2) The study of molecular-scale interactions that give rise to macromolecular, supramolecular or nanoparticulate self-assembly into discrete structures; and the study of chemical forces and dynamics that are responsible for spatial organization in discrete organic, inorganic, or hybrid systems (excluding extended solids).  (3) Investigations that utilize advanced experimental or computational methods to understand or to predict the chemical structure, unique chemical and physicochemical properties, and chemical reactivities that result from the organized or nanoscopic structures.  Research in which theory advances experiment and experiment advances theory synergistically is of special interest.

SoftwareInfrastructure for Sustained Innovation (SI2) is a long-term investment focused on realizing a portion of the Cyberinfrastructure Framework for 21st Century Science and Engineering (CIF21, http://www.nsf.gov/funding/pgm_summ.jsp?pims_id=504730) vision and catalyzing new thinking, paradigms and practices in science and engineering. CIF21 envisions a linked cyberinfrastructure architecture that integrates large-scale computing, high-speed networks, massive data archives, instruments and major facilities, observatories, experiments, and embedded sensors and actuators, across the nation and the world, and that enables research at unprecedented scales, complexity, resolution, and accuracy by integrating computation, data, and experiments in novel ways. Software is a primary modality through which CIF21 innovation and discovery will be realized. It permeates all aspects and layers of cyberinfrastructure (from application codes and frameworks, programming systems, libraries and system software, to middleware, operating systems, networking and the low-level drivers). The CIF21 software infrastructure must address the complexity of this cyberinfrastructure, accommodating: disruptive hardware trends; ever-increasing data volumes; data integrity, privacy, and confidentiality; security; complex application structures and behaviors; and emerging concerns such as fault-tolerance and energy efficiency. The programs must focus on building robust, reliable and sustainable software that will support and advance sustained scientific innovation and discovery.
 The Division of Advanced Cyberinfrastructure in the Computer & Information Science & Engineering Directorate (CISE/ACI) is partnering with Directorates and Offices across the NSF to support SI2, a long-term comprehensive program focused on realizing a sustained software infrastructure that is an integral part of CIF21.

The DOE SC program in Basic Energy Sciences (BES) hereby announces its interest in receiving new and renewal applications from small groups (2-3 principal investigators) and integrated multidisciplinary teams (typically from multiple institutions) in Computational Chemical Sciences (CCS). Single-investigator applications are not responsive to the objectives of this FOA. CCS will support basic research to develop validated, open-source codes for modeling and simulation of complex chemical processes and phenomena that allow full use of emerging exascale and future planned DOE leadership-class computing capabilities. The focus for CCS is on developing capabilities that allow modeling and simulation of new or previously inaccessible complex chemical systems and/or provide dramatic improvement in fidelity, scalability, and throughput. Teams should bring together expertise in domain areas (e.g., electronic structure, chemical dynamics, statistical mechanics, etc.) and other areas important to advance computational tools such as data science, algorithm development, and software architectures. Priority will be given to efforts that address reaction chemistry across multiple scales in complex environments important in geosciences, catalysis, biochemistry, or electrochemistry. CCS will continue to support the DOE Exascale Computing Initiative (ECI). The ECI aims to accelerate the research and development needed to overcome key exascale challenges and maximize benefits of high-performance computing. This funding opportunity continues the BES commitment to ECI by developing open-source codes that can take full advantage of emerging exascale and future planned DOE leadership-class computing facilities.

On the occasion of its 350th anniversary, Merck KGaA, Darmstadt, Germany will fund innovative projects in applied biophysical & analytical research. Projects will be based on the following challenges: · Challenge 1: Analytical technologies for antibodies and antibody-drug conjugates, as well as technologies to determine drug target engagement, or the level of protein or nucleic acid or metabolic biomarkers. · Challenge 2: Analytical technologies for display materials or semiconductors (Liquid Crystals, OLED Materials, Quantum Materials, Reactive Mesogens, Photoresist Materials). E.g. Spectroscopic Methods, MS Hyphenation, Capillary Chromatography and Comprehensive Separation Technologies; Surface analytics for displays (non- or destructive), Sample preparation techniques for ultra-sensitive investigations · Challenge 3: Analytical technologies for the characterization of polymers, chemical imaging, bioanalytical methods or new methods in molecular biology. Technologies of interest for example are: field flow floractionation (FFF), dynamic light scattering (DLS), chemical imaging, new chromatographic techniques, spectroscopic and spectrometric methods, electron paramagnetic resonance (EPR), microwave analytics

Description: The Communications, Circuits, and Sensing-Systems (CCSS) Program supports innovative research in circuit and system hardware and signal processing techniques. CCSS also supports system and network architectures for communications and sensing to enable the next-generation cyber-physical systems (CPS) that leverage computation, communication, and sensing integrated with physical domains. CCSS invests in micro- and nano-electromechanical systems (MEMS/NEMS), physical, chemical, and biological sensing systems, neurotechnologies, and communication & sensing circuits and systems. The goal is to create new complex and hybrid systems ranging from nano- to macro-scale with innovative engineering principles and solutions for a variety of applications including but not limited to healthcare, medicine, environmental and biological monitoring, communications, disaster mitigation, homeland security, intelligent transportation, manufacturing, energy, and smart buildings. CCSS encourages research proposals based on emerging technologies and applications for communications and sensing such as high-speed communications of terabits per second and beyond, sensing and imaging covering microwave to terahertz frequencies, personalized health monitoring and assistance, secured wireless connectivity and sensing for the Internet of Things, and dynamic-data-enabled autonomous systems through real-time sensing and learning.

The ARI is a joint Domestic Nuclear Detection Office (DNDO) and National Science Foundation (NSF) program seeking novel cross-cutting research that will enhance the nation's ability to detect and interdict nuclear or radiological material outside of regulatory control, and otherwise help prevent nuclear or radiological attacks. This year's solicitation topics will encompass a range of subjects, with an emphasis on unconventional, multidisciplinary approaches to threat detection. A number of small to medium awards are intended in the areas of novel approaches to extremely low-cost threat detection, orthogonal and informatics approaches to threat detection, deterrence analytics, and advanced forensics techniques. A single large award is intended for an integrated, multidisciplinary approach to shielded special nuclear material detection. Primary objectives of the ARI include advancing fundamental knowledge in the above areas and developing intellectual capacity in scientific fields relevant to long-term advances in these areas. Proposals outside of the scope described in this solicitation will be returned without review. Research proposals specific to detection of biological, chemical, and conventional weapons are excluded from the scope of this solicitation, however approaches that consider explosives detection and nuclear or radiological materials detection are of interest.

An objective of the Critical Infrastructure Resilience Institute (CIRI) is to bring together capabilities of colleges, universities, federal laboratories, industry, and nonprofit organizations to assess and improve resilience in the ten critical infrastructures for which the Department of Homeland Security is the designated sector-specific agency: * Chemical * Commercial Facilities * Communications * Critical Manufacturing * Dams * Emergency Services * Government Facilities * Information Technology * Nuclear Reactors, Materials, and Waste * Transportation Systems CIRI activities are organized around four themes: 1. Understanding resilient critical infrastructure systems. 2. Application of critical infrastructure in the real world. 3. The business case for infrastructure resiliency. 4. The future of resiliency. With those objectives in mind, CIRI is seeking proposals for projects that will improve the nation's ability to * Understand vulnerabilities and risks * Quantitatively assess risks and resilience measures * Mitigate risks and improve resilience * Establish the business case for resiliency * Deploy resiliency measures

The Small Business Innovation Research (SBIR) Program stimulates technological innovation in the private sector by strengthening the role of small business concerns in meeting Federal research and development needs, increasing the commercial application of federally supported research results, and fostering and encouraging participation by socially and economically disadvantaged and women-owned small businesses. The topics, listed below, are detailed on the SBIR/STTR topics homepage: Educational Technologies and Applications (EA) Information and Communication Technologies (IC) Semiconductors (S) and Photonic (PH) Devices and Materials Electronic Hardware, Robotics and Wireless Technologies (EW) Advanced Manufacturing and Nanotechnology (MN) Advanced Materials and Instrumentation (MI) Chemical and Environmental Technologies (CT) Biological Technologies (BT) Smart Health (SH) and Biomedical (BM) Technologies

The purpose of this funding opportunity announcement (FOA) is to support non-commercial lab-to-user dissemination of novel, reliable imaging and bioengineering technologies, including devices, software, methods, chemical agents, etc. Proposed technologies should have been prototyped, validated, and are potentially highly impactful to the research community. However, their beyond-the-lab dissemination via commercialization or industry partnership is not anticipated. Projects should focus on transforming functioning prototypes to usable tools and delivering them to end users for high-quality research in a reliable manner. Related activities may include, but are not limited to, quality control, scale-up production, user training, and technical improvements that are within the scope of the prototyped technology and limited to applying proven techniques or existing resources. Projects that involve clinical trials, commercialization, academic-industry partnership, or service using existing equipment are not responsive to this FOA.

Although invention and proof-of-concept testing of new technologies are a key component of the BRAIN Initiative, to achieve their potential these technologies must also be optimized through feedback from end-users in the context of the intended experimental use. This seeks applications for the optimization of existing and emerging technologies and approaches that have potential to address major challenges associated with recording and manipulating neural activity, at or near cellular resolution, at multiple spatial and temporal scales, in any region and throughout the entire depth of the brain. This FOA is intended for the iterative refinement of emergent technologies and approaches that have already demonstrated their transformative potential through initial proof-of-concept testing, and are appropriate for accelerated development of hardware and software while scaling manufacturing techniques towards sustainable, broad dissemination and user-friendly incorporation into regular neuroscience practice. Proposed technologies should be compatible with experiments in behaving animals, and should include advancements that enable or reduce major barriers to hypothesis-driven experiments. Technologies may engage diverse types of signaling beyond neuronal electrical activity for large-scale analysis, and may utilize any modality such as optical, electrical, magnetic, acoustic or genetic recording/manipulation. Applications that seek to integrate multiple approaches are encouraged. Applications are expected to integrate appropriate domains of expertise, including where appropriate biological, chemical and physical sciences, engineering, computational modeling and statistical analysis.

Understanding the dynamic activity of neural circuits is central to the NIH BRAIN Initiative. This FOA seeks applications for proof-of-concept testing and development of new technologies and novel approaches for largescale recording and manipulation of neural activity to enable transformative understanding of dynamic signaling in the nervous system. In particular, we seek exceptionally creative approaches to address major challenges associated with recording and manipulating neural activity, at or near cellular resolution, at multiple spatial and/or temporal scales, in any region and throughout the entire depth of the brain. It is expected that the proposed research may be high-risk, but if successful could profoundly change the course of neuroscience research. Proposed technologies should be compatible with experiments in behaving animals, and should include advancements that enable or reduce major barriers to hypothesis-driven experiments. Technologies may engage diverse types of signaling beyond neuronal electrical activity for large-scale analysis, and may utilize any modality such as optical, electrical, magnetic, acoustic or genetic recording/manipulation. Applications that seek to integrate multiple approaches are encouraged. Where appropriate, applications are expected to integrate appropriate domains of expertise, including biological, chemical and physical sciences, engineering, computational modeling and statistical analysis.

The National Science Foundation (NSF) Directorates for Engineering (ENG) and Geosciences (GEO), the Divisions of Integrative Organismal Systems (IOS) and Environmental Biology (DEB), in the Directorate for Biological Sciences (BIO), the Division of Computer and Network Systems in the Directorate Computer and Information Science and Engineering (CISE/CNS), and the Division of Chemistry (CHE) in the Directorate for Mathematical and Physical Sciences, in collaboration with the US Department of Agriculture National Institute of Food and Agriculture (USDA NIFA) encourage convergent research that transforms existing capabilities in understanding dynamic soil processes, including soil formation, through advances in sensor systems and modeling. The Signals in the Soil (SitS) program fosters collaboration among the two partner agencies and the researchers they support by combining resources and funding for the most innovative and high-impact projects that address their respective missions. To make transformative advances in our understanding of soils, multiple disciplines must converge to produce environmentally-benign novel sensing systems with multiple modalities that can adapt to different environments and collect and transmit data for a wide range of biological, chemical, and physical parameters. Effective integration of sensor data will be key for achieving a better understanding of signaling interactions among plants, animals, microbes, the soil matrix, and aqueous and gaseous components. New sensor networks have the potential to inform models in novel ways, to radically change how data is obtained from various natural and managed (both urban and rural) ecosystems, and to better inform the communities that directly rely on soils for sustenance and livelihood.

The specific areas of interest are: 1. HED Hydrodynamics 2. Radiation-Dominated Dynamics and Material Properties 3. Magnetized HED Plasma Physics 4. Nonlinear Optics of Plasmas and Laser-Plasma Interactions 5. Relativistic HED Plasmas and Intense Beam Physics 6. Warm Dense Matter 7. High-Z, Multiply Ionized HED Atomic Physics 8. Diagnostics for HED Laboratory Plasmas Proposed research efforts can include experimental, theoretical, and/or computational science. Applications integrating experiments, theory, and simulation are encouraged. Grant applications are sought in the following subfields and crosscutting areas of HED laboratory plasmas, as described in the Report of the 2009 Workshop on Basic Research Needs for High-Energy-Density Laboratory Physics.