Interactive Chemical Reactivity Exploration

Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemical reactivity exploration to effectively introduce the chemist's intuition into the search process. We employ a haptic pointer device with force-feedback to allow the operator the direct manipulation of structures in three dimensions along with simultaneous perception of the quantum mechanical response upon structure modification as forces. We elaborate on the details of how such an interactive exploration should proceed and which technical difficulties need to be overcome. All reactivity-exploration concepts developed for this purpose have been implemented in the Samson programming environment.Comment: 36 pages, 14 figure

HERMIES-3: A step toward autonomous mobility, manipulation, and perception

HERMIES-III is an autonomous robot comprised of a seven degree-of-freedom (DOF) manipulator designed for human scale tasks, a laser range finder, a sonar array, an omni-directional wheel-driven chassis, multiple cameras, and a dual computer system containing a 16-node hypercube expandable to 128 nodes. The current experimental program involves performance of human-scale tasks (e.g., valve manipulation, use of tools), integration of a dexterous manipulator and platform motion in geometrically complex environments, and effective use of multiple cooperating robots (HERMIES-IIB and HERMIES-III). The environment in which the robots operate has been designed to include multiple valves, pipes, meters, obstacles on the floor, valves occluded from view, and multiple paths of differing navigation complexity. The ongoing research program supports the development of autonomous capability for HERMIES-IIB and III to perform complex navigation and manipulation under time constraints, while dealing with imprecise sensory information

NASA space station automation: AI-based technology review

Research and Development projects in automation for the Space Station are discussed. Artificial Intelligence (AI) based automation technologies are planned to enhance crew safety through reduced need for EVA, increase crew productivity through the reduction of routine operations, increase space station autonomy, and augment space station capability through the use of teleoperation and robotics. AI technology will also be developed for the servicing of satellites at the Space Station, system monitoring and diagnosis, space manufacturing, and the assembly of large space structures

A Concept Paper for a VCU Social Sciences Initiative

This project proposes the development of a Social Sciences Initiative at the undergraduate and graduate levels that will provide educational, research and service opportunities for faculty and students. These opportunities are envisioned as interdisciplinary, with a focus on community issues and priorities, and with the potential to create new links among existing educational/research units within the University. The development of a Social Sciences Initiative provides a direct link to the Mission of VCU through several of the Mission’s intents: “activities that increase knowledge and understanding of the world and inspire and enrich teaching” The Social Sciences Initiative will expand current activities and promote innovative teaching in an interdisciplinary manner. “diverse educational programs” The Social Sciences Initiative increases the diversity of educational program offerings. “development of innovative approaches to meet the changing needs of our society” The Social Sciences Initiative will directly address the changing societal needs through support of interdisciplinary education, research, and service. Further, this initiative is consistent with the VCU Vision in that it will “advance a climate of scholarly inquiry…serve as a model of diversity in higher education…addressing urban issues in the nation and the world…build upon its substantial foundations in the…applied social sciences.” (VCU Strategic Plan for the Future of Virginia Commonwealth University, Phase II, 1998)

Brain-wave measures of workload in advanced cockpits: The transition of technology from laboratory to cockpit simulator, phase 2

The present Phase 2 small business innovation research study was designed to address issues related to scalp-recorded event-related potential (ERP) indices of mental workload and to transition this technology from the laboratory to cockpit simulator environments for use as a systems engineering tool. The project involved five main tasks: (1) Two laboratory studies confirmed the generality of the ERP indices of workload obtained in the Phase 1 study and revealed two additional ERP components related to workload. (2) A task analysis' of flight scenarios and pilot tasks in the Advanced Concepts Flight Simulator (ACFS) defined cockpit events (i.e., displays, messages, alarms) that would be expected to elicit ERPs related to workload. (3) Software was developed to support ERP data analysis. An existing ARD-proprietary package of ERP data analysis routines was upgraded, new graphics routines were developed to enhance interactive data analysis, and routines were developed to compare alternative single-trial analysis techniques using simulated ERP data. (4) Working in conjunction with NASA Langley research scientists and simulator engineers, preparations were made for an ACFS validation study of ERP measures of workload. (5) A design specification was developed for a general purpose, computerized, workload assessment system that can function in simulators such as the ACFS

Towards a Formal Framework for Mobile, Service-Oriented Sensor-Actuator Networks

Service-oriented sensor-actuator networks (SOSANETs) are deployed in health-critical applications like patient monitoring and have to fulfill strong safety requirements. However, a framework for the rigorous formal modeling and analysis of SOSANETs does not exist. In particular, there is currently no support for the verification of correct network behavior after node failure or loss/addition of communication links. To overcome this problem, we propose a formal framework for SOSANETs. The main idea is to base our framework on the \pi-calculus, a formally defined, compositional and well-established formalism. We choose KLAIM, an existing formal language based on the \pi-calculus as the foundation for our framework. With that, we are able to formally model SOSANETs with possible topology changes and network failures. This provides the basis for our future work on prediction, analysis and verification of the network behavior of these systems. Furthermore, we illustrate the real-life applicability of this approach by modeling and extending a use case scenario from the medical domain.Comment: In Proceedings FESCA 2013, arXiv:1302.478