TheoCheM Group

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We are an international and diverse team of computational and theoretical chemists. Our passion is developing powerful chemical theories and methods that enable the prediction and rational design of target molecules, nanostructures, and materials as well as new, more efficient chemical processes toward these compounds, based on quantum mechanics and computer simulations. We cover in essence all areas of molecular and surface chemistry, ranging from elementary physical chemistry, via organic and inorganic chemistry, to biological and medicinal chemistry.
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