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Mathematical Challenges from Theoretical/Computational Chemistry

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Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The mathematical sciences provide the language for quantitative science, and this language is growing in many directions as computational science in general continues its rapid expansion. A timely opportunity now exists to strengthen and increase the beneficial impacts of chemistry by enhancing the interaction between chemistry and the mathematical sciences. Computational chemistry is a natural outgrowth of theoretical chemistry, the traditional rule of which involves the creation and dissemination of a penetrating conceptual infrastructure for the chemical sciences, particularly at...

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