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By National Research Council (U.S.). Organizing Committee for the Workshop on Information and Communications, Board on Chemical Sciences and Technology

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For any multiscale model, what is missing in the early stages of development is less important. What is important is what is not missing. Multiscale modeling is a kind of targeted design activity, and it requires physical intuition to decide what does not matter. These examples point to several critical areas where advances are needed to provide improved multiscale capabilities: • Computing Power: The underlying progress of the past decade has resulted in part from the increasing power of computers and from important theoretical and algorithmic developments.

The use of web services will be crucial for the utility of this work. 38 INFORMATION AND COMMUNICATION In order to reduce barriers several steps must be addressed: • Promote and ensure decentralized autonomy of creative technical experts in the chemical sciences, while facilitating a multidisciplinary team approach to targeted design. • Continue the integration of IT with the chemical sciences, which have been quick to accept IT and use it throughout the discipline. • Increase multidisciplinary training and provide financial mechanisms to support IT.

Several general observations can be made: • The tools used in one box often are not easily used by specialists working in another box. , open source). Such beginnings strengthen the flow of information between some of the boxes. 36 INFORMATION AND COMMUNICATION • Between other boxes, however, barriers still hinder the effectiveness of the information flow as noted in the next paragraphs. For the purpose of discussion, consider a specific starting point: Ensuring product quality at the molecular level requires a new generation of science and engineering tools.

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