9222684 Lavery The Board on Mathematical Sciences (BMS) and the Board on Chemical Sciences and Technology (BCST) of the Commission on Physical Sciences, Mathematics and Applications (CPSMA), National Research Council (NRC) will conduct a study that will identify research opportunities for the mathematical sciences, appropriate for both collaborative work will chemical scientists and for independent work, relevant to computational chemistry. The primary goal of the study is to engage the talent of more mathematical scientists to work on problems in computational chemistry, which should produce advances of benefit to both the mathematical and chemical sciences. This study will produce a report, written in language accessible to both chemical and mathematical scientists, that presents a number of open problems in computational chemistry that have mathematical components, to give mathematical scientists sufficient background for initiating relevant research either independently or in collaboration with chemical scientists. The report will also identify some of the intellectual and administrative barriers that often hinder crossdisciplinary research related to computational chemistry, and make recommendations to the research communities, policymakers, and federal funding agencies on how to overcome or minimize these barriers.
