41 research outputs found

    Speed and accuracy: Having your cake and eating it too

    Get PDF
    Since the first ab initio methods were developed, the ultimate goal of quantum chemistry has been to provide insights, not readily accessible through experiment, into chemical phenomena. Over the years, two different paths to this end have been taken. The first path provides as accurate a description of relatively small systems as modern computer hardware will allow. The second path follows the desire to perform simulations on systems of physically relevant sizes while sacrificing a certain level of accuracy. The merging of these two paths has allowed for the accurate modeling of large molecular systems through the use of novel theoretical methods. The largest barrier to achieving the goal of accurate calculations on large systems has been the computational requirements of many modern theoretical methods. While these methods are capable of providing the desired level of accuracy, the prohibitive computational requirements can limit system sizes to tens of atoms. By decomposing large chemical systems into more computationally tractable pieces, fragmentation methods have the capability to reduce this barrier and allow for highly accurate descriptions of large molecular systems such as proteins, bulk phase solutions and polymers and nano-scale systems

    Cumulative index to NASA Tech Briefs, 1970-1975

    Get PDF
    Tech briefs of technology derived from the research and development activities of the National Aeronautics and Space Administration are presented. Abstracts and indexes of subject, personal author, originating center, and tech brief number for the 1970-1975 tech briefs are presented

    Markov models of biomolecular systems

    Get PDF

    Handbook for MAP, volume 32. Part 1: MAP summary. Part 2: MAPSC minutes, reading, August 1989. MAP summaries from nations. Part 3: MAP data catalogue

    Get PDF
    Extended abstracts from the fourth workshop on the technical and scientific aspects of mesosphere stratosphere troposphere (MST) radar are presented. Individual sessions addressed the following topics: meteorological applications of MST and ST radars, networks, and campaigns; the dynamics of the equatorial middle atmosphere; interpretation of radar returns from clear air; techniques for studying gravity waves and turbulence, intercomparison and calibration of wind and wave measurements at various frequencies; progress in existing and planned MST and ST radars; hardware design for MST and ST radars and boundary layer/lower troposphere profilers; signal processing; and data management

    Aeronautical engineering: A continuing bibliography with indexes (supplement 322)

    Get PDF
    This bibliography lists 719 reports, articles, and other documents introduced into the NASA scientific and technical information system in Oct. 1995. Subject coverage includes: design, construction and testing of aircraft and aircraft engines; aircraft components, equipment, and systems; ground support systems; and theoretical and applied aspects of aerodynamics and general fluid dynamics

    MULTIDIMENSIONALITY IN SENSOMICS: AROUND A CUP OF TEA

    Get PDF
    corecore