The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.
Table of Contents
|1 The Accelerated Strategic Computing Initiative||8-19|
|2 Software Development for Computational Chemistry: Does Anything Remain to Be Done?||20-25|
|3 Recent Advances in Computational Thermochemistry and Challenges for the Future||26-34|
|Session 1 Panel Disussion||35-43|
|4 The Role of Computational Biology in the Genomics Revolution||44-61|
|5 Needs and New Directions in Computing for the Chemical Process Industries||62-73|
|6 Vision 2020: Computational Needs of the Chemical Industry||74-90|
|Session 2 Panel Discussion||91-96|
|7 Collaboratory Life: Challenges of Internet-mediated Science for Chemists||97-108|
|8 A Computer Science Perspective on Computing for the Chemical Sciences||109-124|
|9 Collaboratories: Building Electronic Scientific Communities||125-140|
|10 The World Wide Laboratory: Remote and Automated Access to Imaging Instrumentation||141-153|
|11 The Wired Laboratory||154-170|
|Session 3 Panel Discussion||171-177|
|12 Chemical Data in the||178-189|
|13 The Digital Library: An Integrated System for Scholarly Communication||190-198|
|14 Electronic Journal Publishing at the American Chemical Society||199-209|
|Session 4 Panel Discussion||210-216|
|A List of Workshop Participants||217-219|
|B Origin of and Information on the Chemical Sciences Rountable||220-222|
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