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Collection year-2016
Publications during 2016
Article Reference Reaction network of methanol synthesis over Cu/ZnO Nanocatalysts
The eciency of industrial methanol synthesis from syngas results from a complex scenario of surface chemical reactions in the presence of dynamical ...
Article Reference Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations
Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. ...
Collection year-2015
Publications during 2015