Dutta, A. K.; Neese, F.; Izsák, R. Accelerating the Coupled-Cluster Singles and Doubles Method Using the Chain-of-Sphere Approximation. Molecular Physics2018, 116, 1428–1434.
Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R. Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies. Journal of Chemical Theory and Computation2018, 14, 72–91.
Dutta, A. K.; Neese, F.; Izsák, R. A Simple Scheme for Calculating Approximate Transition Moments Within the Equation of Motion Expectation Value Formalism. The Journal of Chemical Physics2017, 146, 214111.
Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R. Automatic Active Space Selection for the Similarity Transformed Equations of Motion Coupled Cluster Method. The Journal of Chemical Physics2017, 146, 074103.
Dutta, A. K.; Neese, F.; Izsák, R. Towards a Pair Natural Orbital Coupled Cluster Method for Excited States. The Journal of Chemical Physics2016, 145, 034102.
Dutta, A. K.; Neese, F.; Izsák, R. Speeding up Equation of Motion Coupled Cluster Theory with the Chain of Spheres Approximation. The Journal of Chemical Physics2016, 144, 034102.
The new type of OER electrocatalyst has been discovered by PD Dr. Harun Tüysüz (Max-Planck-Institut für Kohlenforschung), Prof. Dr. Claudia Felser (Max-Planck-Institut für Chemische Physik fester Stoffe) and co-workers.