Impact of Advances in Computing and Communications Technologies on Chemical Science and Technology Report of a Workshop (1999) / Chapter Skim
Currently Skimming:
Summary
Summary
Pages 1-7
The Chapter Skim interface presents what we've algorithmically identified as the most significant single chunk of text within every page in the chapter.
Select key terms on the right to highlight them within pages of the chapter.
From page 1... ...
The presentations and discussion at the workshop considered benefits and opportunities for chemical science and technology stemming from ongoing dramatic advances in computing and communications, as well as challenges to be met in using these technologies effectively for research and in applications addressing pressing national problems. This volume presents the results of that workshop.
|
From page 2... ...
, reaction and molecular dynamics, and statistical mechanics is one of the great scientific success stories of the past three decades, as evidenced by the award of the 1998 Nobel Prize in chemistry to John Pople and Walter Kohn. Taylor described computational chemistry as a mature and very successful field that nevertheless requires continuing effort to improve theories, methods, algorithms, and implementation.
|
From page 3... ...
One means of sifting useful proteins out of the genomic databases is the computer prediction of protein function. To extend the level of molecular function annotation to a broader class of protein sequences, a novel method for identification of protein function based directly on the sequence-to-structure-to-function paradigm has been developed.
|
From page 4... ...
When completed, it will provide an integrated software environment supporting a broad range of computational tools for modeling chemical and engineering processes, extending from the molecular level to that of full chemical plants. Quantum chemistry and other tools at the molecular level are being coupled with higher-level chemical process modeling, chemical process reaction modeling, plant process design, and process control.
|
From page 5... ...
Among the advantages they described for remoteaccess technology which is one component of a collaboratory were opportunities for consultation with experts located anywhere, access to a network of distributed expertise, and unprecedented opportunities for education, training, and access for users at institutions lacking the means to support expensive and unique instruments. Specific examples they reported on involved remote work with a transmission electron microscope, nuclear magnetic resonance imaging spectrometers, and a video light microscope all of which are accessible in the WWL through Web-browser-based user interfaces.
|
From page 6... ...
He also provided information on an electronic laboratory notebook that has been developed to assist with the management of experiments, projects, and programs. McLaughlin characterized the wired laboratory of the future as one in which all scientists would use an intelligent electronic laboratory notebook linked to all of the data-generating equipment, and in which evolving analytical technology in combination with data analysis techniques would reduce the time required for sample preparation and data interpretation.
|
From page 7... ...
Garson identified a range of important problems and challenges associated with electronic publish ing, including the need for improvements in technology and funding of that investment, assumption of responsibility and costs for archiving of electronic information, terms for and constraints on use of electronic information, and costs of individual subscriptions. He was optimistic about progress in overcoming the technical barriers but indicated that the financial and sociological obstacles are formidable.
|
Key Terms
This material may be derived from roughly machine-read images, and so is provided only to facilitate research.
More
information on Chapter Skim is available.