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Current research at UC3 has a strong focus on method and software development within computational chemistry and biology. Methods of particular interest are the so-called quantum-mechanics/molecular-mechanics (QM/MM) approach as well as classical molecular dynamics (MD). These methods will later be applied to various problems in biochemistry, photochemistry and material science.

The research is sponsored by the e-Science collaboration eSSENCE (a collaboration between Lund, Umeå and Uppsala Universities funded by the Swedish Research Council) and by the departments of the respective group leaders.